Structure Information
Structure

Compound Identification

SMILES

CS(O)(=O)=O.CS(O)(=O)=O.CN1CCN(CC1)C1CC2=C(SC3=CC=CC=C13)C=CC(=C2)[N+]([O-])=O

InChIKey

InChIKey=KIYMEQDYNWFDLS-UHFFFAOYSA-N

Formula

C21H29N3O8S3

Mass

547.66

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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 Nitroaromatic compounds N-methylpiperazines Aralkylamines Benzenoids Organosulfonic acids Alkanesulfonic acids Methanesulfonates Sulfonyls Trialkylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations

Molecular Framework

Not available

Substituents

Dibenzothiepin - Diarylthioether - Aryl thioether - Nitroaromatic compound - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Piperazine - Benzenoid - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Organic nitro compound - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Thioether - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organic oxygen compound - Organic salt - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - Organic cation - 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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