Compound Identification
SMILES
CC(C)C1=NC(SCC(=O)NC2=CC=CC=C2C(O)=O)=C(C=C1)C#N
InChIKey
InChIKey=MQACWDZFLBJLMC-UHFFFAOYSA-N
Formula
C18H17N3O3S
Mass
355.41
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
Anilides Benzoic acids 3-pyridinecarbonitriles Benzoyl derivatives N-arylamides Alkylarylthioethers Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acids Nitriles Azacyclic compounds Sulfenyl compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Benzoic acid - Anilide - Aryl thioether - Benzoyl - N-arylamide - 3-pyridinecarbonitrile - Alkylarylthioether - Pyridine - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Carbonitrile - Nitrile - Thioether - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Cyanide - Organic nitrogen 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