Structure Information
Structure

Compound Identification

SMILES

Cl.Cl.CN(C)CCOC(C)(C1=CC=CC=C1)C1=CC=C(Br)C=C1.CN(C)CC\C=C1/C2=CC=CC=C2CSC2=CC=CC=C12

InChIKey

InChIKey=MFUJOQRAYGHKGY-IPPFNBFJSA-N

Formula

C37H45BrCl2N2OS

Mass

716.64

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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

Diphenylmethanes Benzylethers Bromobenzenes Alkylarylthioethers Aryl bromides Trialkylamines Dialkyl ethers Organobromides Hydrochlorides Hydrocarbon derivatives

Molecular Framework

Not available

Substituents

Dibenzothiepin - Diphenylmethane - Benzylether - Aryl thioether - Bromobenzene - Alkylarylthioether - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Ether - Dialkyl ether - Thioether - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrochloride - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Organooxygen 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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