Structure Information
Structure

Compound Identification

SMILES

CS(O)(=O)=O.CC(C)CSC1=CC2=C(SC3=CC=CC=C3CC2N2CCN(CCCO)CC2)C=C1

InChIKey

InChIKey=NBHIKQNUKYXFKJ-UHFFFAOYSA-N

Formula

C26H38N2O4S3

Mass

538.78

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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 Thiophenol ethers Alkylarylthioethers N-alkylpiperazines Aralkylamines Sulfonyls 1,3-aminoalcohols Alkanesulfonic acids Organosulfonic acids Methanesulfonates Trialkylamines Sulfenyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Primary alcohols

Molecular Framework

Not available

Substituents

Dibenzothiepin - Diarylthioether - Thiophenol ether - Aryl thioether - N-alkylpiperazine - Aralkylamine - Alkylarylthioether - 1,4-diazinane - Piperazine - Benzenoid - Methanesulfonate - Alkanesulfonic acid - Organic sulfonic acid or derivatives - 1,3-aminoalcohol - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tertiary aliphatic amine - Tertiary amine - Sulfenyl compound - Azacycle - Alkanolamine - Thioether - Organic nitrogen compound - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Alcohol - 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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