Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C/C(O)=O.C[N+]1(CCNCC1)C1CC2=CC=CC=C2SC2=C1C=CC1=CC=CC=C21

InChIKey

InChIKey=PODCPJWPLSURFI-BTJKTKAUSA-N

Formula

C27H29N2O4S

Mass

477.6

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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 - Naphthalene - Aryl thioether - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Tetraalkylammonium salt - Quaternary ammonium salt - Secondary aliphatic amine - Azacycle - Carboxylic acid - Carboxylic acid derivative - Secondary amine - Thioether - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organic cation - 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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