Compound Identification
SMILES
CC(C)CCSC1=CC=C(C=C1)C(=O)C(O)NC(=O)C1=NC=CN=C1
InChIKey
InChIKey=SBSZECNGISDGHX-UHFFFAOYSA-N
Formula
C18H21N3O3S
Mass
359.44
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
Pyrazinecarboxamides Thiophenol ethers Benzoyl derivatives Aryl alkyl ketones 2-heteroaryl carboxamides Alkylarylthioethers Heteroaromatic compounds Alpha-hydroxy ketones Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Alkanolamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Pyrazine carboxylic acid or derivatives - Pyrazinecarboxamide - 2-heteroaryl carboxamide - Aryl thioether - Benzoyl - Thiophenol ether - Aryl alkyl ketone - Alkylarylthioether - Monocyclic benzene moiety - Pyrazine - Benzenoid - Alpha-hydroxy ketone - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Thioether - Azacycle - Alkanolamine - Carboxylic acid derivative - Organoheterocyclic compound - Sulfenyl compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - 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