Compound Identification
SMILES
CCC(CC)OC(=O)C1=C(Cl)C=CC(NC(=S)C2=CC=CC=C2N)=C1
InChIKey
InChIKey=KMPBZWOYKKUUCR-UHFFFAOYSA-N
Formula
C19H21ClN2O2S
Mass
376.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
-
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 acid esters
Alternative Parents
2-halobenzoic acids and derivatives Aniline and substituted anilines Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous halides Thioamides Carboxylic acid esters Amino acids and derivatives Thiocarboxylic acid amides Organic oxides Hydrocarbon derivatives Primary amines Thiocarbonyl compounds Organochlorides Organooxygen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Aniline or substituted anilines - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Thioamide - Amino acid or derivatives - Carboxylic acid ester - Thiocarboxylic acid amide - Carboxylic acid derivative - Organochloride - Organohalogen compound - Organosulfur compound - Primary amine - Thiocarbonyl group - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available