Compound Identification
SMILES
COC(=O)COC1=CC=C(C=C1)C(=O)CNC(=O)C1=CC=C(C=C1)C(=N)SC
InChIKey
InChIKey=JWAVOUPXMGUQNG-UHFFFAOYSA-N
Formula
C20H20N2O5S
Mass
400.45
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
Phenoxyacetic acid derivatives Benzamides Phenoxy compounds Phenol ethers Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Methyl esters Secondary carboxylic acid amides Imidothioesters Sulfenyl compounds Monocarboxylic acids and derivatives Imidothioic acids and derivatives Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Phenoxyacetate - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Aryl alkyl ketone - Benzoyl - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Methyl ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Imidothioester - Ether - Carboxylic acid derivative - Sulfenyl compound - Imidothioic acid or derivatives - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Aromatic homomonocyclic 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