Compound Identification
SMILES
CC1=CC=C(C=C1)C(=O)NC(=S)NC1=CC=C(C=C1)N1CCN(CC1)C(=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=ODZVFESTDOGJDO-UHFFFAOYSA-N
Formula
C26H25ClN4O2S
Mass
493.02
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 4-halobenzoic acids and derivatives p-Toluamides Benzamides Aniline and substituted anilines Dialkylarylamines Benzoyl derivatives Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Thioureas Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenylpiperazine - N-arylpiperazine - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - P-toluamide - Toluamide - Benzoic acid or derivatives - Benzamide - Benzoyl - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Toluene - Halobenzene - Chlorobenzene - 1,4-diazinane - Piperazine - Aryl chloride - Aryl halide - Tertiary carboxylic acid amide - Thiourea - Tertiary amine - Amino acid or derivatives - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic nitrogen 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