Compound Identification
SMILES
CCCCC1=CC=C(C=C1)C(=O)CSC1=NC(C)=C([C@@H](C1C#N)C1=CC=CS1)C(=O)NC1=CC=CC=C1OC
InChIKey
InChIKey=GKTDRTPQJHTNDJ-IZCXSWDTSA-N
Formula
C31H31N3O3S2
Mass
557.73
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
Anilides Methoxyanilines Anisoles Aryl alkyl ketones Benzoyl derivatives Methoxybenzenes N-arylamides Phenoxy compounds Dihydropyridines Alkyl aryl ethers Imidothiolactones Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Nitriles Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Anilide - Methoxyaniline - Anisole - Benzoyl - Phenol ether - N-arylamide - Aryl alkyl ketone - Phenoxy compound - Methoxybenzene - Dihydropyridine - Alkyl aryl ether - Imidothiolactone - Hydropyridine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Organic 1,3-dipolar compound - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Cyanide - Organosulfur compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - 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