Compound Identification
SMILES
CCOC(=O)C1=CC(NC(=O)CSC2=NN=C(N2CC)C2=CC=C(Br)C=C2)=CC=C1
InChIKey
InChIKey=NRWJYZXIOPOABA-UHFFFAOYSA-N
Formula
C21H21BrN4O3S
Mass
489.39
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
Phenyl-1,2,4-triazoles Benzoic acid esters Anilides N-arylamides Benzoyl derivatives Alkylarylthioethers Bromobenzenes Aryl bromides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Organic oxides Organobromides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Phenyl-1,2,4-triazole - Phenyltriazole - Benzoate ester - Anilide - Aryl thioether - N-arylamide - Benzoyl - Halobenzene - Bromobenzene - Alkylarylthioether - Aryl bromide - Aryl halide - Azole - Triazole - 1,2,4-triazole - Heteroaromatic compound - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Thioether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Organohalogen compound - Organobromide - 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