Compound Identification
SMILES
CC(=O)C1=CC=C(NC(=O)CSC2=NC(=O)C(CCC([O-])=O)=NN2)C=C1
InChIKey
InChIKey=XEAOOQWKDPQLNS-UHFFFAOYSA-M
Formula
C16H15N4O5S
Mass
375.38
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 Aryl alkyl ketones Benzoyl derivatives N-arylamides Alkylarylthioethers 1,2,4-triazines Heteroaromatic compounds Carboxylic acid salts Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Acetophenone - Anilide - Aryl thioether - Benzoyl - N-arylamide - Aryl alkyl ketone - Alkylarylthioether - Monocyclic benzene moiety - Triazine - Benzenoid - 1,2,4-triazine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid salt - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic anion - 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