Compound Identification
SMILES
CC(C)(C)OC(=O)N1CCN(CCC2=CC=C(C=C2)C(=O)CSC2=CC=NC3=CC=CC=C23)CC1
InChIKey
InChIKey=HOZGZVKFWNQJAC-UHFFFAOYSA-N
Formula
C28H33N3O3S
Mass
491.65
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
Quinolines and derivatives Phenethylamines Piperazine carboxylic acids Aryl alkyl ketones Benzoyl derivatives N-alkylpiperazines Aralkylamines Alkylarylthioethers Pyridines and derivatives Heteroaromatic compounds Carbamate esters Trialkylamines Azacyclic compounds Sulfenyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Quinoline - Phenethylamine - Piperazine-1-carboxylic acid - Benzoyl - Aryl thioether - Aryl alkyl ketone - N-alkylpiperazine - Alkylarylthioether - Aralkylamine - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Pyridine - Heteroaromatic compound - Carbamic acid ester - Tertiary amine - Tertiary aliphatic amine - Thioether - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - 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