Compound Identification
SMILES
COC1=CC=CC=C1N1CCN(CCCCC(=O)C2=CC(NC(N)=O)=C(C=C2)S(C)=O)CC1
InChIKey
InChIKey=KCCIQZUPIIOLMB-UHFFFAOYSA-N
Formula
C24H32N4O4S
Mass
472.6
Taxonomic Classification
Taxonomy Tree
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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
N-arylpiperazines Phenylpiperazines Butyrophenones N-phenylureas Aminophenyl ethers Methoxyanilines Phenyl sulfoxides Anisoles Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines Methoxybenzenes Phenoxy compounds N-alkylpiperazines Alkyl aryl ethers Ureas Trialkylamines Sulfoxides Azacyclic compounds Sulfinyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenylpiperazine - N-arylpiperazine - Butyrophenone - N-phenylurea - Phenyl sulfoxide - Aminophenyl ether - Methoxyaniline - Methoxybenzene - Anisole - Aniline or substituted anilines - Dialkylarylamine - Aryl alkyl ketone - Benzoyl - Phenol ether - Phenoxy compound - Tertiary aliphatic/aromatic amine - N-alkylpiperazine - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - 1,4-diazinane - Piperazine - Urea - Tertiary aliphatic amine - Tertiary amine - Sulfoxide - Ether - Sulfinyl compound - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Amine - Organosulfur 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