Structure Information
Structure

Compound Identification

SMILES

CN1[C@H]2SS[C@@](Cc3ccc(OCC=C(C)C)cc3)(N(C)C2=O)C1=O

InChIKey

InChIKey=JSIYDGFKARPHEZ-FUHWJXTLSA-N

Formula

C18H22N2O3S2

Mass

378.51

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazinanes

Subclass

Piperazines

Intermediate Tree Nodes

Dioxopiperazines - 2,5-dioxopiperazines - Thiodioxopiperazines

Direct Parent

Epipolythiodioxopiperazines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alpha-amino acid or derivatives - Epipolythiodioxopiperazine - Phenoxy compound - Phenol ether - Alkyl aryl ether - N-alkylpiperazine - N-methylpiperazine - Monocyclic benzene moiety - Dithiazinane - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Organic disulfide - Carboxylic acid derivative - Ether - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as epipolythiodioxopiperazines. These are compounds containing an epipolythiodioxopiperazine moiety, which consists of a 2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione ring system. One distinct characteristics of Epipolythiodioxopiperazines is the presence of unique di- or polysulfide bridges.

External Descriptors

Not available

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