Compound Identification
SMILES
CC1=CC=CC=C1C(=O)NC(=S)NC1=CC(Cl)=C(C=C1)C([O-])=O
InChIKey
InChIKey=WBGBDVJKRNZLJU-UHFFFAOYSA-M
Formula
C16H12ClN2O3S
Mass
347.79
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
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
-
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
2-halobenzoic acids Halobenzoic acids o-Toluamides Benzoic acids 1-carboxy-2-haloaromatic compounds Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous halides Thioureas Carboxylic acid salts Organooxygen compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - Benzoic acid or derivatives - O-toluamide - Toluamide - Benzoic acid - 1-carboxy-2-haloaromatic compound - Benzoyl - Halobenzene - Toluene - Chlorobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Thiourea - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic anion - Aromatic homomonocyclic 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