Compound Identification
SMILES
C\C(NC1=C(C(=O)C2=CC=C(C)C=C2)C2=C(CCCC2)S1)=C(\C#N)C(N)=O
InChIKey
InChIKey=ZOMKXNJETTUNRI-DTQAZKPQSA-N
Formula
C21H21N3O2S
Mass
379.48
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
-
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
2-amino-3-benzoylthiophenes 3,4,5-trisubstituted-2-aminothiophenes Thiophene carboxylic acids and derivatives Benzoyl derivatives Toluenes Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Nitriles Enamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl-phenylketone - 2-amino-3-benzoylthiophene - 3-aroylthiophene - 3,4,5-trisubstituted-2-aminothiophene - Benzoyl - Thiophene carboxylic acid or derivatives - Toluene - Monocyclic benzene moiety - Benzenoid - 2-aminothiophene - Vinylogous amide - Heteroaromatic compound - Thiophene - Carboxamide group - Primary carboxylic acid amide - Organoheterocyclic compound - Nitrile - Carbonitrile - Enamine - Carboxylic acid derivative - Cyanide - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic 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