Compound Identification
SMILES
CC(C)(C)NC(=O)C1=CC=CC=C1SC(=O)C1=CC=CC=C1
InChIKey
InChIKey=PWWKNOSKSYFBQL-UHFFFAOYSA-N
Formula
C18H19NO2S
Mass
313.42
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
Thiobenzoic acids and derivatives Benzamides Benzoyl derivatives Aryl thioethers Thioesters Secondary carboxylic acid amides Carbothioic S-esters Sulfenyl compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-sulfanylbenzoic acid or derivatives - Benzamide - Thiobenzoic acid or derivatives - Aryl thioether - Benzoyl - Carboxamide group - Carbothioic s-ester - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Carboxylic acid derivative - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - 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