Compound Identification
SMILES
CCOC1=C(C=CC(NC(C)=O)=C1)C(=O)NNC(C#N)C1=CC=C(SC)C=C1
InChIKey
InChIKey=PVRXHRQIXQSDFP-UHFFFAOYSA-N
Formula
C20H22N4O3S
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
Acetanilides N-acetylarylamines Thiophenol ethers Benzoyl derivatives Phenol ethers Phenoxy compounds Alkyl aryl ethers Alkylarylthioethers Acetamides Carboxylic acid hydrazides Secondary carboxylic acid amides Nitriles Sulfenyl compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Acetanilide - N-acetylarylamine - Anilide - Phenoxy compound - Aryl thioether - Benzoyl - N-arylamide - Phenol ether - Thiophenol ether - Alkyl aryl ether - Alkylarylthioether - Acetamide - Carboxamide group - Carboxylic acid hydrazide - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Sulfenyl compound - Thioether - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxide - Aromatic homomonocyclic 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