Structure Information
Structure

Compound Identification

SMILES

CCCSC1=NC2=C(N=N1)C1=CC=CC=C1N(C(O2)C1=CC=C(O1)C1=CC(=CC=C1)C(F)(F)F)C(=O)CC

InChIKey

InChIKey=PWRWTZHRBAHPLG-UHFFFAOYSA-N

Formula

C27H23F3N4O3S

Mass

540.56

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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 - Trifluoromethylbenzene - Aryl thioether - Meta-oxazepine - Alkylarylthioether - Monocyclic benzene moiety - Triazine - 1,2,4-triazine - Benzenoid - Furan - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Thioether - Oxacycle - Sulfenyl compound - Carboxylic acid derivative - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - 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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