Compound Identification
SMILES
CCC1(C)CC2=C(CO1)SC1=NC(SCC(=O)NC3=CC=C(C=C3)C(C)=O)=NC(N)=C21
InChIKey
InChIKey=MJOBFDHTRWLLJL-UHFFFAOYSA-N
Formula
C22H24N4O3S2
Mass
456.58
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
Acetophenones Thienopyrimidines Thienopyrans Anilides Aryl alkyl ketones Benzoyl derivatives N-arylamides Alkylarylthioethers Aminopyrimidines and derivatives Pyrans Primary aromatic amines Imidolactams Heteroaromatic compounds Thiophenes Secondary carboxylic acid amides Amino acids and derivatives Dialkyl ethers Oxacyclic compounds Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Aldehydes Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Acetophenone - Thienopyran - Thienopyrimidine - Anilide - Aryl thioether - Benzoyl - N-arylamide - Aryl alkyl ketone - Aminopyrimidine - Alkylarylthioether - Monocyclic benzene moiety - Primary aromatic amine - Pyran - Pyrimidine - Benzenoid - Imidolactam - Thiophene - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Thioether - Azacycle - Sulfenyl compound - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Amine - Aldehyde - Hydrocarbon derivative - Organonitrogen compound - Organosulfur compound - Primary amine - Organopnictogen compound - Organic oxide - Organic nitrogen 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