Compound Identification
SMILES
CC(=O)C1=CC=C(NC(=O)CSC2=NC(=O)N(N)C(CCC(O)=O)=N2)C=C1
InChIKey
InChIKey=JKRMTHJSAVGAHU-UHFFFAOYSA-N
Formula
C16H17N5O5S
Mass
391.4
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 Alkyl-2-thio-S-triazines N-arylamides Aryl alkyl ketones Benzoyl derivatives Triazinones Alkylarylthioethers Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Acetophenone - Anilide - N-arylamide - Aryl alkyl ketone - Alkyl-2-thio-s-triazine - Benzoyl - Aryl thioether - Triazinone - Alkylarylthioether - 1,3,5-triazine - Benzenoid - Triazine - Monocyclic benzene moiety - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Thioether - Sulfenyl compound - Hydrocarbon derivative - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - 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