Structure Information
Structure

Compound Identification

SMILES

CS(O)(=O)=O.CS(O)(=O)=O.CS(O)(=O)=O.COC1=CC2=C(CC(N3CCN(C)CC3)C3=CC=CC=C3S2)C=C1.COC1=CC2=C(CC(N3CCN(C)CC3)C3=CC=CC=C3S2)C=C1

InChIKey

InChIKey=PIERVDHABBYRDG-UHFFFAOYSA-N

Formula

C43H60N4O11S5

Mass

969.27

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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 Anisoles N-methylpiperazines Aralkylamines Alkyl aryl ethers Sulfonyls Organosulfonic acids Methanesulfonates Alkanesulfonic acids Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives

Molecular Framework

Not available

Substituents

Dibenzothiepin - Diarylthioether - Aryl thioether - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - N-alkylpiperazine - N-methylpiperazine - 1,4-diazinane - Benzenoid - Piperazine - Methanesulfonate - Alkanesulfonic acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tertiary amine - Tertiary aliphatic amine - Azacycle - Ether - Thioether - Organic oxygen compound - Amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - 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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