Compound Identification
SMILES
COC1=C(Br)C=C(C=C1)C(C)=NNC1=NC(=O)CC(S1)C(=O)NC1=CC=C(C=C1)C(O)=O
InChIKey
InChIKey=GPERGNSLEJIMQO-UHFFFAOYSA-N
Formula
C21H19BrN4O5S
Mass
519.37
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
Anilides Benzoic acids Phenoxy compounds N-arylamides Methoxybenzenes Anisoles Benzoyl derivatives Alkyl aryl ethers Bromobenzenes 1,3-thiazines Aryl bromides Secondary carboxylic acid amides N-acylimines Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organobromides Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Benzoic acid - Anilide - Phenol ether - N-arylamide - Benzoyl - Phenoxy compound - Methoxybenzene - Anisole - Halobenzene - Bromobenzene - Alkyl aryl ether - Meta-thiazine - Aryl halide - Aryl bromide - Secondary carboxylic acid amide - N-acylimine - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Carbonyl group - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organohalogen compound - Organobromide - 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