Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(O)=O.ClC1=CC2=C(SC3=CC=CC=C3CC2NCC#C)C=C1.ClC1=CC2=C(SC3=CC=CC=C3CC2NCC#C)C=C1

InChIKey

InChIKey=FNNRDSYYDCHCHZ-UHFFFAOYSA-N

Formula

C36H30Cl2N2O4S2

Mass

689.67

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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

Diarylthioethers Aralkylamines Dicarboxylic acids and derivatives Benzenoids Aryl chlorides Dialkylamines Carboxylic acids Acetylides Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Not available

Substituents

Dibenzothiepin - Diarylthioether - Aryl thioether - Aralkylamine - Aryl chloride - Aryl halide - Benzenoid - Dicarboxylic acid or derivatives - Carboxylic acid derivative - Acetylide - Carboxylic acid - Secondary aliphatic amine - Thioether - Secondary amine - Amine - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen 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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