Compound Identification
SMILES
COC(=O)C1=CC=CC=C1NC(=O)CSC1=NN=C(CNC(=O)C2=CC=CO2)N1CC=C
InChIKey
InChIKey=JBKJENHILROYAY-UHFFFAOYSA-N
Formula
C21H21N5O5S
Mass
455.49
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 Anilides 2-heteroaryl carboxamides Benzoyl derivatives Furoic acid and derivatives N-arylamides Alkylarylthioethers Vinylogous amides Triazoles Heteroaromatic compounds Methyl esters Secondary carboxylic acid amides Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Benzoate ester - Anilide - 2-heteroaryl carboxamide - Furoic acid or derivatives - Aryl thioether - Benzoyl - N-arylamide - Alkylarylthioether - Azole - Furan - 1,2,4-triazole - Methyl ester - Vinylogous amide - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Oxacycle - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Thioether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - 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