Compound Identification
SMILES
C[C@H](OC(=O)C[C@H]1SC2=CC=CC=C2NC1=O)C(=O)C1=CC=C(NC(C)=O)C=C1
InChIKey
InChIKey=VURNWDIRQSTOSJ-KPZWWZAWSA-N
Formula
C21H20N2O5S
Mass
412.46
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
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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
Acetanilides Benzothiazines Phenylpropanes N-acetylarylamines Aryl alkyl ketones Benzoyl derivatives Alkylarylthioethers Alpha-acyloxy ketones 1,4-thiazines Acetamides Lactams Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Acetanilide - Benzothiazine - N-acetylarylamine - Phenylpropane - Anilide - Aryl thioether - Benzoyl - N-arylamide - Aryl alkyl ketone - Alkylarylthioether - Alpha-acyloxy ketone - Monocyclic benzene moiety - Benzenoid - Para-thiazine - Acetamide - Secondary carboxylic acid amide - Lactam - Carboxylic acid ester - Carboxamide group - Azacycle - Thioether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organic oxide - 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