Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C12CC(SC3=CC=CC=C3N1C(=NO2)C1=CC=CC=C1)C1=C(SC2=CC=CC=C2)N(N=C1C)C1=CC=CC=C1

InChIKey

InChIKey=BROKCRXXVABGSL-UHFFFAOYSA-N

Formula

C39H32N4O2S2

Mass

652.83

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiazepines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzothiazepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenylpyrazole - Diarylthioether - Benzothiazepine - Thiophenol ether - Phenol ether - Phenoxy compound - Methoxybenzene - Aryl thioether - Anisole - Alkyl aryl ether - Alkylarylthioether - Imidolactam - Monocyclic benzene moiety - Benzenoid - Pyrazole - Heteroaromatic compound - Azole - Tertiary amine - Amidine - Oxacycle - Azacycle - Ether - Sulfenyl compound - Thioether - Amine - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzothiazepines. These are organic compounds containing a benzene fused to a thiazepine ring (a seven-membered ring with a nitrogen atom and a sulfur atom replacing two carbon atoms).

External Descriptors

Not available

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