Compound Identification
SMILES
COC1=C(C=C(C=C1)C(=O)NC(=S)NC1=C(N2CCCCC2)C(Cl)=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=XQLCHEWCAFRMBB-UHFFFAOYSA-N
Formula
C20H21ClN4O4S
Mass
448.92
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
Phenylpiperidines Nitrophenyl ethers Benzoic acids and derivatives Methoxyanilines Anisoles Benzoyl derivatives Dialkylarylamines Methoxybenzenes Nitroaromatic compounds Phenoxy compounds Alkyl aryl ethers Chlorobenzenes Aryl chlorides Amino acids and derivatives Thioureas Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenylpiperidine - Nitrophenyl ether - Benzoic acid or derivatives - Nitrobenzene - Methoxyaniline - Anisole - Benzoyl - Phenoxy compound - Nitroaromatic compound - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl halide - Piperidine - Aryl chloride - Amino acid or derivatives - C-nitro compound - Organic nitro compound - Thiourea - Tertiary amine - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Ether - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic salt - Organosulfur compound - Organic nitrogen compound - Organic oxide - Amine - Organic oxygen compound - Organic zwitterion - 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