Structure Information
Structure

Compound Identification

SMILES

CCN1CCCC1CNC(=O)C1=CC(=CC2=C1OC(C)C2)S(C)=O

InChIKey

InChIKey=LOGATWRFOZFEPL-UHFFFAOYSA-N

Formula

C18H26N2O3S

Mass

350.48

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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

M-sulfanylbenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

M-sulfanylbenzoic acid or derivatives - Coumaran - Alkyl aryl ether - N-alkylpyrrolidine - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Sulfoxide - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfinyl compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic 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

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