Compound Identification
SMILES
FC1=CC=C(C=C1)C(=O)CCCN1CCC2(CC1)SC(C1=CC=CC=C21)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=KCFSSNYFWPEQOW-UHFFFAOYSA-N
Formula
C28H27ClFNOS
Mass
480.04
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
Phenylbutylamines Butyrophenones Aryl alkyl ketones Benzoyl derivatives Aralkylamines Fluorobenzenes Chlorobenzenes Piperidines Aryl chlorides Aryl fluorides Gamma-amino ketones Trialkylamines Azacyclic compounds Dialkylthioethers Organopnictogen compounds Organic oxides Organochlorides Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Phenylbutylamine - Benzoyl - Aryl alkyl ketone - Chlorobenzene - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Gamma-aminoketone - Aryl chloride - Piperidine - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Azacycle - Dialkylthioether - Organoheterocyclic compound - Thioether - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Amine - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - 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