Compound Identification
SMILES
O=C(C1C(C2CSCN2C11C(=O)NC2=CC=CC=C12)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=QNWDUSMUDZYWSX-UHFFFAOYSA-N
Formula
C26H22N2O2S
Mass
426.53
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
Phenylpyrrolidines Alpha amino acids and derivatives Indolines Aryl alkyl ketones Benzoyl derivatives Pyrrolothiazoles Gamma-amino ketones N-alkylpyrrolidines Thiazolidines Pyrroles Secondary carboxylic acid amides Lactams Dialkylthioethers Azacyclic compounds Thiohemiaminal derivatives Hydrocarbon derivatives Amines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - 3-phenylpyrrolidine - Alpha-amino acid or derivatives - Indole or derivatives - Dihydroindole - Benzoyl - Pyrrolothiazole - Aryl alkyl ketone - Benzenoid - N-alkylpyrrolidine - Monocyclic benzene moiety - Gamma-aminoketone - Thiazolidine - Pyrrole - Pyrrolidine - Carboxamide group - Lactam - Secondary carboxylic acid amide - Dialkylthioether - Thioether - Carboxylic acid derivative - Organoheterocyclic compound - Hemithioaminal - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - 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