Compound Identification
SMILES
CC1=CC=CC=C1C(=O)NC(=S)NC1=C(Cl)C=CC(=C1)C([O-])=O
InChIKey
InChIKey=AFBOQRQFBKUVOO-UHFFFAOYSA-M
Formula
C16H12ClN2O3S
Mass
347.79
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
N-phenylthioureas
- Level 5 N-acyl-phenylthioureas
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Subclass
N-phenylthioureas
-
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
4-halobenzoic acids Halobenzoic acids o-Toluamides Benzoic acids Benzoyl derivatives Chlorobenzenes Aryl chlorides Thioureas Carboxylic acid salts Carboxylic acids Organooxygen compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - Halobenzoic acid - 4-halobenzoic acid - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoic acid or derivatives - O-toluamide - Toluamide - Benzoic acid - Benzoyl - Toluene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxylic acid salt - Thiourea - Carboxylic acid - Carboxylic acid derivative - Organohalogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organonitrogen compound - 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