Compound Identification
SMILES
COC(=O)C1=CC=C(NC(=O)CSC2=NN=C(N2C2=CC=C(Cl)C=C2)C2=CC=C(C)C=C2)C=C1
InChIKey
InChIKey=WUMQJFNRSSVLMX-UHFFFAOYSA-N
Formula
C25H21ClN4O3S
Mass
492.98
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Acylaminobenzoic acid and derivatives
Alternative Parents
Phenyl-1,2,4-triazoles Benzoic acid esters Anilides N-arylamides Benzoyl derivatives Toluenes Alkylarylthioethers Chlorobenzenes Aryl chlorides Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Phenyltriazole - Phenyl-1,2,4-triazole - Benzoate ester - Anilide - N-arylamide - Aryl thioether - Benzoyl - Chlorobenzene - Alkylarylthioether - Toluene - Halobenzene - Aryl halide - Aryl chloride - Methyl ester - Triazole - 1,2,4-triazole - Heteroaromatic compound - Azole - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Sulfenyl compound - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Thioether - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
External Descriptors
Not available