Structure Information
Structure

Compound Identification

SMILES

OC(=O)C([O-])=O.CN(C)CCCC1C(C#N)C2=CC=CC=C2SC2=CC=CC=C12

InChIKey

InChIKey=YNWDETZEXVPRAI-UHFFFAOYSA-M

Formula

C22H23N2O4S

Mass

411.5

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