Compound Identification
SMILES
CC(OC(=O)CCC1=NC2=C(C3=C(CCCC3)S2)C(=O)N1)C(=O)C1=CC=CC=C1
InChIKey
InChIKey=YMHQMJDFYUNYES-UHFFFAOYSA-N
Formula
C22H22N2O4S
Mass
410.49
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
Thienopyrimidines Phenylpropanes Aryl alkyl ketones Benzoyl derivatives Pyrimidones Alpha-acyloxy ketones Fatty acid esters Thiophenes Heteroaromatic compounds Carboxylic acid esters Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Phenylpropane - Thienopyrimidine - Benzoyl - Aryl alkyl ketone - Fatty acid ester - Pyrimidone - Alpha-acyloxy ketone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Fatty acyl - Heteroaromatic compound - Thiophene - Lactam - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organic nitrogen 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