Compound Identification
SMILES
COC1=C(OCC(=O)NC2=CC=CC=C2)C=CC(C=C2C(=O)NC(=S)N(C2=O)C2=CC=CC(=C2)C(O)=O)=C1
InChIKey
InChIKey=LPFGLXIMXADWPJ-UHFFFAOYSA-N
Formula
C27H21N3O7S
Mass
531.54
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 Anilides Benzoic acids Phenoxy compounds N-arylamides Methoxybenzenes Anisoles Benzoyl derivatives Alkyl aryl ethers Diazinanes Thioureas Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - N-phenylthiourea - Benzoic acid - Thiobarbiturate - Anilide - Anisole - Benzoyl - Phenoxy compound - Phenol ether - N-arylamide - Methoxybenzene - Alkyl aryl ether - 1,3-diazinane - Thiourea - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen 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