Compound Identification
SMILES
CC(C)[C@H](N)C(=O)OCN1C=CSC1=NC(=O)C1=CC(Br)=C(NC(=O)CC(C)(C)C)C=C1
InChIKey
InChIKey=HHMMWELUERRIAA-SFHVURJKSA-N
Formula
C22H29BrN4O4S
Mass
525.46
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
Valine and derivatives Alpha amino acid esters 3-halobenzoic acids and derivatives Anilides Benzoyl derivatives N-arylamides Fatty acid esters Bromobenzenes Fatty amides Aryl bromides Heteroaromatic compounds Thiazoles Isothioureas Carboxylic acid esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organobromides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Acylaminobenzoic acid or derivatives - Valine or derivatives - Alpha-amino acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Anilide - N-arylamide - Benzoyl - Fatty acid ester - Halobenzene - Bromobenzene - Aryl bromide - Fatty amide - Fatty acyl - Aryl halide - Heteroaromatic compound - Thiazole - Azole - Carboxamide group - Isothiourea - Amino acid or derivatives - Carboxylic acid ester - Secondary carboxylic acid amide - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Primary aliphatic amine - Organohalogen compound - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen 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