Compound Identification
SMILES
CC1=C(CCC(=O)C2=CC=C(CC3NC(=O)SC3=O)C=C2)N=C(O1)C1=CC=CC=C1
InChIKey
InChIKey=PRHZQDTXIIYHMT-UHFFFAOYSA-N
Formula
C23H20N2O4S
Mass
420.48
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
Phenyl-1,3-oxazoles Butyrophenones Alpha amino acids and derivatives Benzoyl derivatives Aryl alkyl ketones 2,4,5-trisubstituted oxazoles Thiazolidinediones Heteroaromatic compounds Thiocarbamic acid derivatives Thiocarboxylic acids and derivatives Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenyl-1,3-oxazole - Butyrophenone - Alpha-amino acid or derivatives - 2,4,5-trisubstituted 1,3-oxazole - Benzoyl - Aryl alkyl ketone - Thiazolidinedione - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Oxazole - Thiazolidine - Thiocarbamic acid derivative - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Oxacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - 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