Compound Identification
SMILES
CC1=CC=C(COC2=C(C=C3C(=O)NC(=S)N(C3=O)C3=CC=CC(=C3)C(O)=O)C=C(Br)C=C2)C=C1
InChIKey
InChIKey=BSXAJCSDCXSWDQ-UHFFFAOYSA-N
Formula
C26H19BrN2O5S
Mass
551.41
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
N-phenylthioureas Thiobarbituric acid derivatives Benzoic acids Phenoxy compounds Phenol ethers Benzoyl derivatives Toluenes Alkyl aryl ethers Bromobenzenes Aryl bromides Diazinanes Thioureas Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - N-phenylthiourea - Benzoic acid - Thiobarbiturate - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Halobenzene - Toluene - Bromobenzene - Aryl bromide - Aryl halide - 1,3-diazinane - Thiourea - Carboxylic acid - Ether - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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