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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzisoxazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzisoxazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzisoxazoles
Alternative Parents
p-Toluamides Benzamides Benzoyl derivatives Aralkylamines Piperidines Isoxazoles Heteroaromatic compounds Thiazoles Amino acids and derivatives Secondary carboxylic acid amides Dialkylamines Azacyclic compounds Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
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