Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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