Structure Information
Structure

Compound Identification

SMILES

CC(C)[NH+](CCNC(=O)CN1C(=O)C(SC2=CC=CC=C12)=CC1=CC=C(Cl)C=C1)CC1=CC=CC=C1

InChIKey

InChIKey=PKHJGHLROMYTSB-UHFFFAOYSA-O

Formula

C29H31ClN3O2S

Mass

521.1

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiazines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzothiazines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alpha-amino acid or derivatives - Benzothiazine - Aryl thioether - Benzylamine - Phenylmethylamine - Chlorobenzene - Halobenzene - Aralkylamine - Para-thiazine - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Quaternary ammonium salt - Tertiary amine - Thioenolether - Tertiary aliphatic amine - Carboxamide group - Lactam - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzothiazines. These are organic compounds containing a benzene fused to a thiazine ring (a six-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).

External Descriptors

Not available

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