Compound Identification
SMILES
COC(=O)C1=CC=CC=C1NC(=O)CCC(=O)N1CC(C)SC2=CC=CC=C12
InChIKey
InChIKey=ZBHNTFKOBRTEEL-UHFFFAOYSA-N
Formula
C21H22N2O4S
Mass
398.48
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
Benzoic acid esters Benzothiazines Anilides N-arylamides Benzoyl derivatives Alkylarylthioethers 1,4-thiazines Fatty amides Methyl esters Tertiary carboxylic acid amides Vinylogous amides Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Benzoate ester - Benzothiazine - Anilide - N-arylamide - Aryl thioether - Benzoyl - Alkylarylthioether - Fatty amide - Para-thiazine - Fatty acyl - Methyl ester - Tertiary carboxylic acid amide - Vinylogous amide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Thioether - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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