Compound Identification
SMILES
CC(=O)C1=CC(NC(=O)CC2SC(=NC3=C(C)C=CC(=C3)[N+]([O-])=O)N(CC=C)C2=O)=CC=C1
InChIKey
InChIKey=NUNOYKBRNARQPJ-UHFFFAOYSA-N
Formula
C23H22N4O5S
Mass
466.51
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
Acetophenones Anilides Nitrobenzenes Nitrotoluenes Aryl alkyl ketones Benzoyl derivatives N-arylamides Nitroaromatic compounds Thiazolidines Isothioureas Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic zwitterions Organic oxides Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Acetophenone - Nitrobenzene - Anilide - Nitrotoluene - Nitroaromatic compound - Benzoyl - N-arylamide - Aryl alkyl ketone - Toluene - Monocyclic benzene moiety - Benzenoid - Thiazolidine - Carboxamide group - Isothiourea - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Organoheterocyclic compound - Azacycle - Organic oxoazanium - Carboxylic acid derivative - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic salt - Organic zwitterion - 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