Compound Identification
SMILES
NC(=O)C1=C(NC(=O)COC(=O)CCC(=O)C2=CC=CC=C2)SC2=C1CCC2
InChIKey
InChIKey=WVIZDNVAPNWPBW-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
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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
Butyrophenones Thiophene carboxamides N-arylamides Gamma-keto acids and derivatives Benzoyl derivatives Aryl alkyl ketones Fatty acid esters Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Benzoyl - Gamma-keto acid - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - N-arylamide - Aryl alkyl ketone - Fatty acid ester - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Keto acid - Vinylogous amide - Thiophene - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Primary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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