Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.OCCN1CCN(CC1)C1=CC2=C(C=C1)C(C1=CC=CC=C1)C1=CC=CC=C1CS2

InChIKey

InChIKey=UTAHEJRKWXIDHV-LVEZLNDCSA-N

Formula

C34H36N2O9S

Mass

648.73

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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

N-arylpiperazines Dialkylarylamines N-alkylpiperazines Alkylarylthioethers Unsaturated fatty acids Dicarboxylic acids and derivatives Benzene and substituted derivatives Trialkylamines 1,2-aminoalcohols Carboxylic acids Azacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Not available

Substituents

Dibenzothiepin - N-arylpiperazine - Aryl thioether - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Alkylarylthioether - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Azacycle - Carboxylic acid - Carboxylic acid derivative - Alkanolamine - Thioether - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Alcohol - 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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