Compound Identification
SMILES
COC(=O)C1=CC(NC(=O)CSC2=NN=C(C(C)NC(=O)C3=CC=CC=C3Br)N2C)=C(Cl)C=C1
InChIKey
InChIKey=LPODDVKMWOTLSG-UHFFFAOYSA-N
Formula
C22H21BrClN5O4S
Mass
566.86
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
Benzoic acid esters 2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Benzamides Anilides Benzoyl derivatives N-arylamides Alkylarylthioethers Bromobenzenes Chlorobenzenes Aryl chlorides Aryl bromides Vinylogous halides Methyl esters Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Carbonyl compounds Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoate ester - Anilide - Benzamide - Aryl thioether - N-arylamide - Benzoyl - Bromobenzene - Alkylarylthioether - Chlorobenzene - Halobenzene - Aryl bromide - Aryl halide - Aryl chloride - Methyl ester - 1,2,4-triazole - Vinylogous halide - Heteroaromatic compound - Azole - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Carboxylic acid derivative - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organosulfur compound - Organohalogen compound - Organobromide - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen 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