Compound Identification
SMILES
CC1(C)C2CCC1(C)C(C2)=NNC1=NC(=O)C(CC(=O)C2=CC=CC=C2)S1
InChIKey
InChIKey=AWUNXQZHZSQIDT-UHFFFAOYSA-N
Formula
C21H25N3O2S
Mass
383.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Bicyclic monoterpenoids Aromatic monoterpenoids Benzoyl derivatives Aryl alkyl ketones Thiazolines N-acylimines Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Aromatic monoterpenoid - Bornane monoterpenoid - Norbornane monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - Meta-thiazoline - N-acylimine - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available