Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1(CCN(CCC2(CC3=CC=CC=C3SC3=CC=CC=C23)C#N)CC1)C1=CC=CC=C1

InChIKey

InChIKey=CKNRTPRLKQQVAB-UHFFFAOYSA-N

Formula

C31H32N2O2S

Mass

496.67

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiepins

Subclass

Dibenzothiepins

Intermediate Tree Nodes

Not available

Direct Parent

Dibenzothiepins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Dibenzothiepin - Phenylpiperidine - Diarylthioether - Piperidinecarboxylic acid - Aryl thioether - Aralkylamine - Monocyclic benzene moiety - Piperidine - Benzenoid - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Azacycle - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Thioether - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Cyanide - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as dibenzothiepins. These are compounds containing a dibenzothiepin moiety, which consists of two benzene connected by a thiepine ring.

External Descriptors

Not available

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