Compound Identification
SMILES
OC1=C(O)C=C(C=C1)C(=O)CSC1=NC2=CC=CC=C2C2=NC(CC3=CNC4=CC=CC=C34)C(=O)N12
InChIKey
InChIKey=KUFVPZROLKALPH-UHFFFAOYSA-N
Formula
C27H20N4O4S
Mass
496.54
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
3-alkylindoles Alpha amino acids and derivatives Quinazolines Aryl alkyl ketones Benzoyl derivatives Catechols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Imidazolinones Substituted pyrroles Heteroaromatic compounds Isothioureas Sulfenyl compounds Carboximidamides Carboxamidines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Alpha-amino acid or derivatives - Quinazoline - 3-alkylindole - Indole - Indole or derivatives - Benzoyl - Catechol - Aryl alkyl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Imidazolinone - Substituted pyrrole - Heteroaromatic compound - 2-imidazoline - Pyrrole - Isothiourea - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid amidine - Carboxylic acid derivative - Amidine - Carboximidamide - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organosulfur 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