Compound Identification
SMILES
CCC1=C(O)C=C(O)C(C(=O)C2=CSC=C2)=C1CC(=O)N1CCN(C(=O)C1)C1=CC=CC=C1C#N
InChIKey
InChIKey=CUEGWAFAODIZEB-UHFFFAOYSA-N
Formula
C26H23N3O5S
Mass
489.55
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 Aryl-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
Aryl-phenylketones
Alternative Parents
3-aroylthiophenes N-arylpiperazines Phenylpiperazines Alpha amino acids and derivatives Phenylacetamides Resorcinols Benzoyl derivatives Benzonitriles Thiophene carboxylic acids and derivatives 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Tertiary carboxylic acid amides Vinylogous acids Lactams Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl-phenylketone - Phenylpiperazine - N-arylpiperazine - 3-aroylthiophene - Alpha-amino acid or derivatives - Phenylacetamide - Benzonitrile - Benzoyl - Resorcinol - Thiophene carboxylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Tertiary carboxylic acid amide - Thiophene - Vinylogous acid - Heteroaromatic compound - Carboxamide group - Lactam - Nitrile - Carbonitrile - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors
Not available