Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C/C([O-])=O.CN1CC[NH+](CC1)C1CC2=CC=CC=C2SC2=C1C=C(C=C2)[N+]([O-])=O

InChIKey

InChIKey=FIFASUIQVWVKCG-BTJKTKAUSA-N

Formula

C23H25N3O6S

Mass

471.53

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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

Molecular Framework

Not available

Substituents

Dibenzothiepin - Diarylthioether - Aryl thioether - Nitroaromatic compound - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - Fatty acyl - Fatty acid - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Benzenoid - Unsaturated fatty acid - Quaternary ammonium salt - Organic nitro compound - Carboxylic acid salt - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Thioether - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic salt - 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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