Compound Identification
SMILES
COC1(CCNC1)C1=CC(SC2=CC=C(C=C2)C(C)=O)=CC=C1
InChIKey
InChIKey=GPEFPZQKEFQFJV-UHFFFAOYSA-N
Formula
C19H21NO2S
Mass
327.44
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
Phenylpyrrolidines Diarylthioethers Benzylethers Acetophenones Thiophenol ethers Benzoyl derivatives Aryl alkyl ketones Aralkylamines Pyrroles Sulfenyl compounds Dialkylamines Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - 3-phenylpyrrolidine - Diarylthioether - Acetophenone - Benzylether - Aryl thioether - Benzoyl - Aryl alkyl ketone - Thiophenol ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Pyrrole - Pyrrolidine - Azacycle - Dialkyl ether - Secondary aliphatic amine - Ether - Organoheterocyclic compound - Sulfenyl compound - Thioether - Secondary amine - Organic oxide - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic heteromonocyclic 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