Compound Identification
SMILES
CC1=CC(C=C2C(=O)NC(=S)N(C2=O)C2=CC=CC(=C2)C(O)=O)=C(C)N1C1=CC=C(OCC2=CC=C(Br)C=C2)C=C1
InChIKey
InChIKey=QWXKQBVLBYTWPA-UHFFFAOYSA-N
Formula
C31H24BrN3O5S
Mass
630.51
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
Phenylpyrroles N-phenylthioureas Benzoic acids Thiobarbituric acid derivatives Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Bromobenzenes Diazinanes Aryl bromides Heteroaromatic compounds Thioureas Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organobromides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - 1-phenylpyrrole - N-phenylthiourea - Benzoic acid - Thiobarbiturate - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Halobenzene - Bromobenzene - Substituted pyrrole - Aryl halide - Aryl bromide - 1,3-diazinane - Pyrrole - Heteroaromatic compound - Thiourea - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Organosulfur compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen 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