Compound Identification
SMILES
FC1=CC=C(C=C1)C(=O)CN1CCC(CN2C(=O)SC3=C2C=C(Cl)C=C3)CC1
InChIKey
InChIKey=NXXSIBKQLDTNMY-UHFFFAOYSA-N
Formula
C21H20ClFN2O2S
Mass
418.91
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
Benzothiazoles Aryl alkyl ketones Benzoyl derivatives Fluorobenzenes Piperidines Aryl chlorides Aryl fluorides Thiazoles Alpha-amino ketones Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - 1,3-benzothiazole - Benzoyl - Aryl alkyl ketone - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Piperidine - Benzenoid - Thiazole - Heteroaromatic compound - Azole - Alpha-aminoketone - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - 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