Compound Identification
SMILES
CC(=O)C1=CC=C(OCC(=O)NC2=NC(C)=C(SCC(N)=O)S2)C=C1
InChIKey
InChIKey=KQILUQFSXPUOHS-UHFFFAOYSA-N
Formula
C16H17N3O4S2
Mass
379.45
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
-
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 2,4,5-trisubstituted thiazoles Aryl alkyl ketones Benzoyl derivatives N-arylamides Phenol ethers Phenoxy compounds Alkyl aryl ethers Alkylarylthioethers Heteroaromatic compounds Primary carboxylic acid amides Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Acetophenone - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Aryl thioether - Aryl alkyl ketone - N-arylamide - Benzoyl - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Thiazole - Carboxamide group - Primary carboxylic acid amide - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Thioether - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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