Compound Identification
SMILES
CCC(=O)NC1=CC=C(C=C1)C(=O)CSC1=N\C(=C/C2=CC=CC=C2)C(=O)N1C1=CC=C(F)C=C1
InChIKey
InChIKey=ZGZCBXOFVWZZBO-KQWNVCNZSA-N
Formula
C27H22FN3O3S
Mass
487.55
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
Alpha amino acids and derivatives Anilides Aryl alkyl ketones N-arylamides Benzoyl derivatives Fluorobenzenes Aryl fluorides Imidazolinones Secondary carboxylic acid amides Isothioureas Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Alpha-amino acid or derivatives - Anilide - N-arylamide - Benzoyl - Aryl alkyl ketone - Halobenzene - Fluorobenzene - Imidazolinone - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - 2-imidazoline - Secondary carboxylic acid amide - Isothiourea - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen 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