Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C/C(O)=O.CN1CCN(CC1)C1=CC2=CC=CC=C2SC2=CC(F)=C(Cl)C=C12

InChIKey

InChIKey=FEAUXNFCJVPVAW-BTJKTKAUSA-N

Formula

C23H22ClFN2O4S

Mass

476.95

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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 - N-methylpiperazine - N-alkylpiperazine - Aryl chloride - Aryl fluoride - Aryl halide - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Tertiary amine - Tertiary aliphatic amine - Azacycle - Carboxylic acid - Carboxylic acid derivative - Thioether - Enamine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen 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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