Compound Identification
SMILES
ClC1=CC=C(C=C1)C(=O)CN1CCN(CC1)C1=NC2=CC=CC=C2S1
InChIKey
InChIKey=GKEHQXQBJKWMRT-UHFFFAOYSA-N
Formula
C19H18ClN3OS
Mass
371.88
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
N-arylpiperazines Benzothiazoles Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines N-alkylpiperazines Chlorobenzenes 2-amino-1,3-thiazoles Aryl chlorides Heteroaromatic compounds Alpha-amino ketones Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - N-arylpiperazine - 1,3-benzothiazole - Benzoyl - Aryl alkyl ketone - Dialkylarylamine - Chlorobenzene - Halobenzene - N-alkylpiperazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - 1,3-thiazol-2-amine - Piperazine - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Alpha-aminoketone - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organopnictogen compound - Organochloride - Amine - 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