Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.CN1CCN(CC1)C1CC2=C(SC3=CC=CC=C13)C=CC(=C2)C(C)=O

InChIKey

InChIKey=HORQTUMWVHBESY-SPIKMXEPSA-N

Formula

C29H32N2O9S

Mass

584.64

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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 Acetophenones Aryl alkyl ketones N-methylpiperazines Aralkylamines Unsaturated fatty acids Dicarboxylic acids and derivatives Trialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives

Molecular Framework

Not available

Substituents

Dibenzothiepin - Diarylthioether - Acetophenone - Aryl thioether - Aryl ketone - Aryl alkyl ketone - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Unsaturated fatty acid - Benzenoid - Fatty acyl - Fatty acid - Tertiary aliphatic amine - Tertiary amine - Ketone - Thioether - Carboxylic acid derivative - Azacycle - Carboxylic acid - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - 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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