Compound Identification
SMILES
C[C@@H](SC1=NN=C(O1)C1=CC(C)=C(C)C=C1)C(=O)NC1=CC=CC=C1C(C)=O
InChIKey
InChIKey=UOPVTYWUBHBAFQ-OAHLLOKOSA-N
Formula
C21H21N3O3S
Mass
395.48
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
Acetophenones Anilides o-Xylenes N-arylamides Aryl alkyl ketones Benzoyl derivatives Alkylarylthioethers Vinylogous amides 1,3,4-oxadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Anilide - Acetophenone - N-arylamide - Aryl alkyl ketone - Benzoyl - Xylene - O-xylene - Aryl thioether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - 1,3,4-oxadiazole - Vinylogous amide - Heteroaromatic compound - Azole - Oxadiazole - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic 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