Structure Information
Structure

Compound Identification

SMILES

NC1=C(Cl)C=C(C=C1Cl)[C@@H](O)C[NH2+][C@H]1C2=CC=CC=C2CSC2=CC=CC=C12

InChIKey

InChIKey=JQXZAVXODXQBDJ-UGKGYDQZSA-O

Formula

C22H21Cl2N2OS

Mass

432.38

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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

Dichlorobenzenes Aniline and substituted anilines Aralkylamines Alkylarylthioethers Aryl chlorides Quaternary ammonium salts Secondary alcohols 1,2-aminoalcohols Dialkylamines Primary amines Organochlorides Hydrocarbon derivatives Aromatic alcohols Organic cations

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Dibenzothiepin - Aryl thioether - 1,3-dichlorobenzene - Aniline or substituted anilines - Chlorobenzene - Aralkylamine - Alkylarylthioether - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Quaternary ammonium salt - Secondary alcohol - 1,2-aminoalcohol - Thioether - Secondary aliphatic amine - Aromatic alcohol - Primary amine - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organochloride - Organic nitrogen compound - Amine - Alcohol - 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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