Compound Identification
SMILES
BrC1=C\C(=C/NC2=CC=CC=C2C(=O)NC2=NC3=CC=CC=C3S2)C(=O)C=C1
InChIKey
InChIKey=OREPCRWIPXJJOP-OUKQBFOZSA-N
Formula
C21H14BrN3O2S
Mass
452.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Aminobenzoic acids and derivatives
Alternative Parents
Anthranilamides Benzothiazoles Aniline and substituted anilines Benzoyl derivatives O-quinomethanes Vinylogous amides Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Vinyl bromides Enamines Bromoalkenes Allylamines Azacyclic compounds Hydrocarbon derivatives Organobromides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aminobenzoic acid or derivatives - Anthranilamide - Benzamide - 1,3-benzothiazole - Benzoyl - O-quinomethane - Aniline or substituted anilines - Quinomethane - Azole - Heteroaromatic compound - Thiazole - Vinylogous amide - Carboxamide group - Ketone - Secondary carboxylic acid amide - Cyclic ketone - Organoheterocyclic compound - Vinyl halide - Vinyl bromide - Allylamine - Carboxylic acid derivative - Enamine - Azacycle - Bromoalkene - Haloalkene - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aminobenzoic acids and derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.
External Descriptors
Not available