Compound Identification
SMILES
ClC1=CC=C(CC2=C(NC(=S)NC2=O)C=NNC(=O)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=CRSGNWVFUGMYFQ-UHFFFAOYSA-N
Formula
C19H15ClN4O2S
Mass
398.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acids and derivatives
Alternative Parents
Benzoyl derivatives Pyrimidones Pyrimidinethiones 2-Thiopyrimidines Chlorobenzenes Aryl chlorides Hydropyrimidines Vinylogous amides Heteroaromatic compounds Thioureas Lactams Azacyclic compounds Carboxylic acids and derivatives Organonitrogen compounds Organochlorides Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid or derivatives - Benzoyl - 2-thiopyrimidine - Thiopyrimidine - Chlorobenzene - Halobenzene - Pyrimidone - Pyrimidinethione - Aryl chloride - Aryl halide - Pyrimidine - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Thiourea - Lactam - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
External Descriptors
Not available