Structure Information
Structure

Compound Identification

SMILES

CSC1=CC=CC=C1C(=O)N1CCCSC[C@@H]1CN1CCOCC1

InChIKey

InChIKey=SRBWAVGNBKKSNL-HNNXBMFYSA-N

Formula

C18H26N2O2S2

Mass

366.54

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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 heteromonocyclic compounds

Substituents

O-sulfanylbenzoic acid or derivatives - Benzamide - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Morpholine - Oxazinane - Vinylogous thioester - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Dialkylthioether - Sulfenyl compound - Azacycle - Thioether - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Amine - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Aromatic heteromonocyclic 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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