Compound Identification
SMILES
CC1=CC=CC=C1C(=O)N1CCN(CC1)C1=C(Cl)C=C(NC(=S)NC(=O)C2=CC(=C(C=C2)N2CCOCC2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=TWEQEJFLYXIUGK-UHFFFAOYSA-N
Formula
C30H31ClN6O5S
Mass
623.13
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
N-phenylthioureas
- Level 5 N-acyl-phenylthioureas
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Subclass
N-phenylthioureas
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylthioureas
Intermediate Tree Nodes
Not available
Direct Parent
N-acyl-phenylthioureas
Alternative Parents
N-arylpiperazines Phenylpiperazines Phenylmorpholines Aminobenzamides o-Toluamides Benzamides Nitrobenzenes Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Nitroaromatic compounds Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Amino acids and derivatives Thioureas Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Azacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenylmorpholine - Phenylpiperazine - N-arylpiperazine - Aminobenzamide - Aminobenzoic acid or derivatives - Nitrobenzene - O-toluamide - Toluamide - Benzamide - Benzoic acid or derivatives - Nitroaromatic compound - Aniline or substituted anilines - Dialkylarylamine - Benzoyl - Tertiary aliphatic/aromatic amine - Toluene - Chlorobenzene - Halobenzene - Piperazine - Aryl halide - Oxazinane - Morpholine - Aryl chloride - 1,4-diazinane - Tertiary carboxylic acid amide - Amino acid or derivatives - Thiourea - Tertiary amine - Carboxamide group - Organic nitro compound - C-nitro compound - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Dialkyl ether - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Amine - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic salt - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-phenylthioureas. These are thiourea derivatives where one nitrogen atom of the urea group is linked to a phenyl group and the other is acylated.
External Descriptors
Not available