Compound Identification
SMILES
CSCN(N(C(=O)C1=CC(C)=CC=C1)C(C)(C)C)C(=O)C1=CC=CC=C1Cl
InChIKey
InChIKey=DKQKASYRERGUHI-UHFFFAOYSA-N
Formula
C21H25ClN2O2S
Mass
404.95
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
Halobenzoic acids and derivatives
Direct Parent
2-halobenzoic acids and derivatives
Alternative Parents
m-Toluamides Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous halides Carboxylic acid hydrazides Sulfenyl compounds Dialkylthioethers Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - M-toluamide - Toluamide - Benzoyl - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Vinylogous halide - Carboxylic acid hydrazide - Dialkylthioether - Thioether - Carboxylic acid derivative - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available