Structure Information
Structure

Compound Identification

SMILES

[Cl-].CCCCC1(CCCC)CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)[C@H]([C@H]1O)C1=CC(NC(=O)OCCC[N+]23CCN(CC2)CC3)=CC=C1

InChIKey

InChIKey=UJXQOLGKTACXGQ-YDXXJHAFSA-N

Formula

C36H55ClN4O5S

Mass

691.37

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiepins

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzothiepins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenylcarbamic acid ester - Benzothiepin - Tertiary aliphatic/aromatic amine - Dialkylarylamine - N-alkylpiperazine - Piperazine - 1,4-diazinane - Benzenoid - Monocyclic benzene moiety - Quaternary ammonium salt - Sulfone - Carbamic acid ester - Tetraalkylammonium salt - Secondary alcohol - Tertiary aliphatic amine - Tertiary amine - Azacycle - Alcohol - Organic zwitterion - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzothiepins. These are organic compounds containing a benzene fused to a thiepine ring (a seven-membered ring with six carbon atoms and one sulfur atom).

External Descriptors

Not available

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