Compound Identification
SMILES
CC(=O)N1CCC2=C(C1)SC(NC(=O)C1=CN=CC=C1)=C2C(=O)C1=CC=CC=C1Cl
InChIKey
InChIKey=AKDXAJRUBSRQIE-UHFFFAOYSA-N
Formula
C22H18ClN3O3S
Mass
439.91
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 Aryl-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
Aryl-phenylketones
Alternative Parents
3-aroylthiophenes Thienopyridines Nicotinamides Thiophene carboxylic acids and derivatives Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous halides Vinylogous amides Tertiary carboxylic acid amides Acetamides Heteroaromatic compounds Tertiary amines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl-phenylketone - 3-aroylthiophene - Nicotinamide - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Thienopyridine - Benzoyl - Thiophene carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Acetamide - Vinylogous amide - Vinylogous halide - Thiophene - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors
Not available