Compound Identification
SMILES
BrC1=CC2=C(C=C1)N(CC#C)C(S2)=NC(=O)C1=CC(=CC=C1)N1C(=O)CCC1=O
InChIKey
InChIKey=HXXIOZLQPLQOBI-UHFFFAOYSA-N
Formula
C21H14BrN3O3S
Mass
468.33
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
Phenylpyrrolidines Benzothiazoles Benzoyl derivatives Pyrrolidine-2-ones Aryl bromides N-substituted carboxylic acid imides Thiazoles Pyrroles Heteroaromatic compounds Dicarboximides Lactams Isothioureas Acetylides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - 1-phenylpyrrolidine - 1,3-benzothiazole - Benzoyl - Aryl bromide - Aryl halide - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - Azole - Carboxylic acid imide - Thiazole - Dicarboximide - Heteroaromatic compound - Pyrrolidine - Pyrrole - Lactam - Isothiourea - Acetylide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organobromide - Aromatic heteropolycyclic 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