Compound Identification
SMILES
CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)COC1=C(Br)C=C(CC)C=C1
InChIKey
InChIKey=MPXXSSQUDNZXGV-UHFFFAOYSA-N
Formula
C21H23BrN4O4S
Mass
507.4
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 Benzoyl derivatives N-arylamides Phenol ethers Phenoxy compounds Bromobenzenes Alkyl aryl ethers Aryl bromides Thiosemicarbazides Carboxylic acid hydrazides Secondary carboxylic acid amides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organosulfur compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Anilide - Phenoxy compound - Benzoyl - N-arylamide - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Thiosemicarbazide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid hydrazide - Ether - Carboxylic acid derivative - Organohalogen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic 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