Structure Information
Structure

Compound Identification

SMILES

CCCOCCOC1=CC=C(COC2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)NC2=CC=C(CN(C)C3CCOCC3)C=C2)C=C1

InChIKey

InChIKey=YSIFXNIYCGORLA-UHFFFAOYSA-N

Formula

C36H44N2O7S

Mass

648.82

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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

Benzothiepin - Anilide - Phenoxy compound - Benzylamine - Phenol ether - Phenylmethylamine - N-arylamide - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Oxane - Benzenoid - Sulfone - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen 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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