Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C\C(O)=O.NCCNC1(C2=CC=CC=C2)C2=CC=CC=C2CSC2=CC=CC=C12

InChIKey

InChIKey=UJBYQUNBDIIRIK-WLHGVMLRSA-N

Formula

C26H26N2O4S

Mass

462.56

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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 - Aralkylamine - Alkylarylthioether - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Unsaturated fatty acid - Fatty acyl - Fatty acid - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Secondary amine - Thioether - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Amine - Hydrocarbon derivative - 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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