Compound Identification
SMILES
O=C(C1C(C(=O)C2=CC=CC=C2)C2(C3N1C=CC1=CC=CC=C31)C(=O)NC1=CC=CC=C21)C1=CC=CS1
InChIKey
InChIKey=HPLJTCMASROIFM-UHFFFAOYSA-N
Formula
C31H22N2O3S
Mass
502.59
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
Indolines Benzoyl derivatives Aryl alkyl ketones Aralkylamines Gamma-amino ketones Beta-amino ketones Thiophenes Pyrrolidines Alpha-amino ketones Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Lactams Amino acids and derivatives Enamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Indole or derivatives - Dihydroindole - Benzoyl - Aryl alkyl ketone - Aralkylamine - Monocyclic benzene moiety - Beta-aminoketone - Gamma-aminoketone - Benzenoid - Alpha-aminoketone - Heteroaromatic compound - Thiophene - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Lactam - Secondary carboxylic acid amide - Enamine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Amine - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - 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