Compound Identification
SMILES
CC1=CC=C(CNC(=O)C2=CC(=NC3=CC=NN23)C(=O)NCC2=CC3=C(OC(=O)N3)C=C2)S1
InChIKey
InChIKey=QWTIISRJBGFUTN-UHFFFAOYSA-N
Formula
C22H18N6O4S
Mass
462.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzoxazoles
- Subclass Benzoxazolones
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Class
Benzoxazoles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazoles
Subclass
Benzoxazolones
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazolones
Alternative Parents
Pyrimidinecarboxylic acids and derivatives Pyrazolo[1,5-a]pyrimidines 2-heteroaryl carboxamides 2,5-disubstituted thiophenes Benzenoids Pyrazoles Oxazoles Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazolone - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Pyrimidine-6-carboxylic acid or derivatives - 2-heteroaryl carboxamide - 2,5-disubstituted thiophene - Benzenoid - Pyrimidine - Azole - Oxazole - Pyrazole - Heteroaromatic compound - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazolones. These are organic compounds containing a benzene fused to an oxazole ring (a five-member aliphatic ring with three carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group.
External Descriptors
Not available