Structure Information
Structure

Compound Identification

SMILES

CS(O)(=O)=O.CS(O)(=O)=O.COC1=C(OC)C=C2SC3=C(C=C(Cl)C=C3)C(CC2=C1)N1CCN(C)CC1

InChIKey

InChIKey=OZVZCNXOYLMSJO-UHFFFAOYSA-N

Formula

C23H33ClN2O8S3

Mass

597.15

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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 Aryl chlorides Sulfonyls Organosulfonic acids Methanesulfonates Alkanesulfonic acids Trialkylamines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives

Molecular Framework

Not available

Substituents

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