Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=C(C=C1)C(=O)NC1=NC=CS1)C1=CC2=C(C=C1)C(=NO2)C1CCNCC1

InChIKey

InChIKey=AFKAPCOTZFCYSO-UHFFFAOYSA-N

Formula

C23H22N4O2S

Mass

418.52

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzisoxazoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzisoxazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzamide - Benzisoxazole - Benzoic acid or derivatives - P-toluamide - Toluamide - Benzoyl - Toluene - Aralkylamine - Monocyclic benzene moiety - Piperidine - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Isoxazole - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Oxacycle - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Organic oxide - Organic oxygen compound - Amine - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzisoxazoles. These are aromatic compounds containing a benzene ring fused to an isoxazole ring. Isoxazole is five-membered ring with three carbon atoms, and an oxygen atom next to a nitrogen atom.

External Descriptors

Not available

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