Structure Information
Structure

Compound Identification

SMILES

CCCN(CCC(=O)N1CCCSC2=CC=CC=C12)CCC1=CC(OC)=C(OC)C=C1

InChIKey

InChIKey=SHAUWVGTIWTUHC-UHFFFAOYSA-N

Formula

C25H34N2O3S

Mass

442.62

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiazepines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzothiazepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzothiazepine - Beta amino acid or derivatives - O-dimethoxybenzene - Dimethoxybenzene - Phenethylamine - Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aralkylamine - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Ether - Carboxylic acid derivative - Azacycle - Thioether - Organonitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzothiazepines. These are organic compounds containing a benzene fused to a thiazepine ring (a seven-membered ring with a nitrogen atom and a sulfur atom replacing two carbon atoms).

External Descriptors

Not available

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