Structure Information
Structure

Compound Identification

SMILES

O.[O-]C(=O)C([O-])=O.CN(C)CCC1(C#N)C2=CC=CC=C2CSC2=CC=CC=C12

InChIKey

InChIKey=JPAZTFHHLXIVOA-UHFFFAOYSA-L

Formula

C21H22N2O5S

Mass

414.48

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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

Not available

Substituents

Dibenzothiepin - Aryl thioether - Alkylarylthioether - Aralkylamine - Dicarboxylic acid or derivatives - Benzenoid - Carboxylic acid salt - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Carbonitrile - Thioether - Nitrile - Organic oxygen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic anion - 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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