Structure Information
Structure

Compound Identification

SMILES

OC(=O)C=CC(O)=O.CN1CCN(CC1)C(=O)CSC1C2=CC=CC=C2CSC2=CC=CC=C12

InChIKey

InChIKey=KBUZACUMEDPBJX-UHFFFAOYSA-N

Formula

C25H28N2O5S2

Mass

500.63

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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 - N-methylpiperazine - N-alkylpiperazine - Alkylarylthioether - 1,4-diazinane - Fatty acyl - Fatty acid - Dicarboxylic acid or derivatives - Piperazine - Benzenoid - Unsaturated fatty acid - Tertiary carboxylic acid amide - Carboxamide group - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Dialkylthioether - Azacycle - Carboxylic acid - Carboxylic acid derivative - Thioether - Sulfenyl compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Amine - 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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