Compound Identification
SMILES
CC(C)OC(=O)C1=CC(NC(=O)CSC2=NN=C(CNC(=O)C3=CC=CO3)N2C)=C(Cl)C=C1
InChIKey
InChIKey=BLGTYKIPKPNING-UHFFFAOYSA-N
Formula
C21H22ClN5O5S
Mass
491.95
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 Anilides 2-heteroaryl carboxamides N-arylamides Benzoyl derivatives Furoic acid and derivatives Alkylarylthioethers Chlorobenzenes Aryl chlorides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Organochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Anilide - 2-heteroaryl carboxamide - Furoic acid or derivatives - Aryl thioether - Benzoyl - N-arylamide - Halobenzene - Chlorobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Azole - 1,2,4-triazole - Heteroaromatic compound - Furan - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur 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