Compound Identification
SMILES
OC(=O)C1=CC(NC(=O)CSC2=NN=C(COC3=CC=CC=C3)N2CC=C)=C(Cl)C=C1
InChIKey
InChIKey=UHDBVZWZPGUMAX-UHFFFAOYSA-N
Formula
C21H19ClN4O4S
Mass
458.92
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 Halobenzoic acids Anilides Benzoic acids Phenoxy compounds Phenol ethers N-arylamides Benzoyl derivatives Alkyl aryl ethers Alkylarylthioethers Chlorobenzenes Aryl chlorides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organochlorides Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 4-halobenzoic acid - Halobenzoic acid - Benzoic acid - Anilide - Phenol ether - Phenoxy compound - Aryl thioether - Benzoyl - N-arylamide - Halobenzene - Alkyl aryl ether - Chlorobenzene - Alkylarylthioether - Aryl halide - Aryl chloride - 1,2,4-triazole - Azole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Thioether - Ether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen 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