Compound Identification
SMILES
CSC1=CC(C(=O)NCCC2=CCCCC2)=C(Cl)C=C1
InChIKey
InChIKey=GZJXMEKCRULQPG-UHFFFAOYSA-N
Formula
C16H20ClNOS
Mass
309.85
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
Sulfanylbenzoic acids and derivatives
Direct Parent
M-sulfanylbenzoic acids and derivatives
Alternative Parents
2-halobenzoic acids and derivatives Benzamides Thiophenol ethers Benzoyl derivatives Chlorobenzenes Alkylarylthioethers Aryl chlorides Vinylogous halides Secondary carboxylic acid amides Sulfenyl compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
M-sulfanylbenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Aryl thioether - Benzoyl - Thiophenol ether - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl halide - Aryl chloride - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Sulfenyl compound - Thioether - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 3, respectively.
External Descriptors
Not available