Compound Identification
SMILES
CC(=O)C1=CC=C(OCC(O)CNCC2=CC=CS2)C=C1
InChIKey
InChIKey=IISUGOAWMSSHGE-UHFFFAOYSA-N
Formula
C16H19NO3S
Mass
305.39
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 Phenoxy compounds Phenol ethers Benzoyl derivatives Aryl alkyl ketones Aralkylamines Alkyl aryl ethers Thiophenes Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Dialkylamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Acetophenone - Phenoxy compound - Benzoyl - Phenol ether - Aryl alkyl ketone - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Thiophene - Heteroaromatic compound - Secondary alcohol - 1,2-aminoalcohol - Secondary amine - Ether - Secondary aliphatic amine - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Alcohol - 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