Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(O)=O.CN(C)CCCC1C2=CC=CC=C2SC(C2=CC=CC=C2)C2=CC=CC=C12

InChIKey

InChIKey=NBNCDCYBOFJKDK-UHFFFAOYSA-N

Formula

C27H29NO4S

Mass

463.59

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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 - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Thioether - Carboxylic acid - Carboxylic acid derivative - Amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - 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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