Structure Information
Structure

Compound Identification

SMILES

CCC(=O)N1[C@@H](OC2=C(N=NC(SC)=N2)C2=CC=CC=C12)C1=CC=CC=C1Cl

InChIKey

InChIKey=PWUUUTLIPYBAAY-IBGZPJMESA-N

Formula

C20H17ClN4O2S

Mass

412.89

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzoxazepines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzoxazepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoxazepine - Aryl thioether - Meta-oxazepine - Chlorobenzene - Alkylarylthioether - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,2,4-triazine - Benzenoid - Triazine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Oxacycle - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoxazepines. These are organic compounds containing a benzene fused to an oxazepine ring (a seven-membered ring with four carbon atoms, one oxygen atom, and a nitrogen atom).

External Descriptors

Not available

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