Structure Information
Structure

Compound Identification

SMILES

CCCCC(=O)OCCC[NH+]1CC[NH+](CC1)[C@@H]1CC2=CC=CC=C2SC2=C1C=C(OC)C=C2

InChIKey

InChIKey=VVQMYCRUIRWEPR-XMMPIXPASA-P

Formula

C27H38N2O3S

Mass

470.67

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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 Alkyl aryl ethers N-alkylpiperazines Aralkylamines Fatty acid esters Quaternary ammonium salts Trialkylamines Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic cations

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Dibenzothiepin - Diarylthioether - Aryl thioether - Anisole - Phenol ether - Alkyl aryl ether - Fatty acid ester - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Piperazine - Fatty acyl - Benzenoid - Quaternary ammonium salt - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - Thioether - Carboxylic acid derivative - Azacycle - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - 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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