Compound Identification
SMILES
COC(=O)C1=CC(NC(=O)CSC2=NN=C(CNC(=O)C3=CC(C)=CC=C3)N2C)=C(Cl)C=C1
InChIKey
InChIKey=BFEKBTQLYRNKLF-UHFFFAOYSA-N
Formula
C22H22ClN5O4S
Mass
487.96
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
4-halobenzoic acids and derivatives Benzoic acid esters m-Toluamides Anilides Benzamides N-arylamides Benzoyl derivatives Alkylarylthioethers Chlorobenzenes Aryl chlorides Triazoles Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organic oxides Organochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Anilide - Benzamide - Toluamide - M-toluamide - Benzoyl - N-arylamide - Aryl thioether - Halobenzene - Alkylarylthioether - Chlorobenzene - Toluene - Aryl halide - Aryl chloride - Heteroaromatic compound - Methyl ester - 1,2,4-triazole - Azole - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Thioether - Sulfenyl compound - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - 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