Compound Identification
SMILES
O=C(C1CCN(CC2SC(=S)N(C2=O)C2=NCCN2)CC1)C1=CC=CC=C1
InChIKey
InChIKey=HSDSMFSUSFUFJW-UHFFFAOYSA-N
Formula
C19H22N4O2S2
Mass
402.53
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
Aryl alkyl ketones Benzoyl derivatives Thiazolidinethiones Piperidines Gamma-amino ketones Imidazolines Cyclic dithiocarbamic acid esters Trialkylamines Amino acids and derivatives Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Organic oxides Organosulfur compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Gamma-aminoketone - Piperidine - Thiazolidinethione - Benzenoid - Cyclic dithiocarbamic acid ester - 2-imidazoline - Dithiocarbamic acid ester - Thiazolidine - Amino acid or derivatives - Guanidine - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organosulfur compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen 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