Compound Identification
SMILES
CCOC1=C(Cl)C=C(C=C1)C(=O)NC(=S)NC1=CC=C(C=C1)N1CCN(CC1)C(=O)C1=CC=CC=C1C
InChIKey
InChIKey=FDQBZDDQBXTWEH-UHFFFAOYSA-N
Formula
C28H29ClN4O3S
Mass
537.08
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
Phenylpiperazines N-arylpiperazines 3-halobenzoic acids and derivatives o-Toluamides Benzamides Phenoxy compounds Phenol ethers Dialkylarylamines Benzoyl derivatives Aniline and substituted anilines Alkyl aryl ethers Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Thioureas Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenylpiperazine - N-arylpiperazine - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - O-toluamide - Toluamide - Phenoxy compound - Benzoyl - Phenol ether - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Toluene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Piperazine - Aryl halide - 1,4-diazinane - Aryl chloride - Tertiary carboxylic acid amide - Thiourea - Amino acid or derivatives - Tertiary amine - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Ether - Organic oxide - Organic oxygen compound - Organohalogen compound - Amine - Organochloride - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - 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