Compound Identification
SMILES
CC(=O)SC1=CC=CC=C1C(=O)NC1CCCCC1
InChIKey
InChIKey=NQHAZYBXRNAAOM-UHFFFAOYSA-N
Formula
C15H19NO2S
Mass
277.38
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
O-sulfanylbenzoic acids and derivatives
Alternative Parents
Thiophenol esters Benzamides Benzoyl derivatives Aryl thioethers Thioesters Secondary carboxylic acid amides Carbothioic S-esters Sulfenyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-sulfanylbenzoic acid or derivatives - Benzamide - Thiophenol ester - Aryl thioether - Benzoyl - Carboxamide group - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Carbothioic s-ester - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Sulfenyl compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-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 2, respectively.
External Descriptors
Not available