Compound Identification
SMILES
COC(=O)C1=CC=CC=C1NC(=O)CSC1=C(C#N)C(=CC(=N1)C1=CC=C(C)C=C1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=ZVRPOOCHJKCKOP-UHFFFAOYSA-N
Formula
C29H22ClN3O3S
Mass
528.02
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
Phenylpyridines Benzoic acid esters Anilides Benzoyl derivatives N-arylamides 3-pyridinecarbonitriles Alkylarylthioethers Toluenes Chlorobenzenes Aryl chlorides Vinylogous amides Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Nitriles Azacyclic compounds Sulfenyl compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - 2-phenylpyridine - 4-phenylpyridine - Benzoate ester - Anilide - Aryl thioether - Benzoyl - N-arylamide - 3-pyridinecarbonitrile - Chlorobenzene - Halobenzene - Toluene - Alkylarylthioether - Aryl halide - Pyridine - Aryl chloride - Heteroaromatic compound - Methyl ester - Vinylogous amide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Thioether - Carbonitrile - Nitrile - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Cyanide - 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