Compound Identification
SMILES
O[C@@]1(CC(=O)C2=CC=CC=C2)C(=O)N(CC2=CC=CS2)C2=C1C=C(Cl)C=C2
InChIKey
InChIKey=LGUDONRVTLPFGQ-OAQYLSRUSA-N
Formula
C21H16ClNO3S
Mass
397.87
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
Indoles and derivatives Aryl alkyl ketones Benzoyl derivatives Beta-hydroxy ketones Aryl chlorides Tertiary alcohols Thiophenes Heteroaromatic compounds Tertiary carboxylic acid amides Lactams Amino acids and derivatives Tertiary amines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Indole or derivatives - Benzoyl - Aryl alkyl ketone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Beta-hydroxy ketone - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Tertiary carboxylic acid amide - Thiophene - Lactam - Carboxamide group - Tertiary amine - Amino acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Amine - Alcohol - 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