Compound Identification
SMILES
O=C(CC(C(=O)C1=CC=CC=C1)C1=NC2=CC=CC=C2S1)N1CCCC1
InChIKey
InChIKey=MLISELQUIZNCRM-UHFFFAOYSA-N
Formula
C21H20N2O2S
Mass
364.46
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
-
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
Butyrophenones Benzothiazoles N-acylpyrrolidines Benzoyl derivatives Aryl alkyl ketones Thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - 1,3-benzothiazole - Benzoyl - N-acylpyrrolidine - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Pyrrolidine - Tertiary carboxylic acid amide - Thiazole - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - 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