Compound Identification
SMILES
[2H]C([2H])(CN1C(=S)NC2=CC=CC=C2C1=O)N1CCC(CC1)C(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=KKJOXLNCYXBXRS-KLTYLHELSA-N
Formula
C22H22N4O4S
Mass
440.51
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
Quinazolines Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds 2-Thiopyrimidines Pyrimidones Pyrimidinethiones Gamma-amino ketones Piperidines Vinylogous amides Heteroaromatic compounds Lactams Trialkylamines Thioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Quinazoline - Nitrobenzene - Aryl alkyl ketone - Nitroaromatic compound - Benzoyl - 2-thiopyrimidine - Pyrimidinethione - Pyrimidone - Thiopyrimidine - Gamma-aminoketone - Piperidine - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Organic nitro compound - Lactam - Tertiary amine - Thiourea - Tertiary aliphatic amine - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Amine - Organonitrogen compound - Organosulfur compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - 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