Compound Identification
SMILES
CC1=CC=C(C=C1)C(=O)COC(=O)C1=CSC(NC2=CC(C)=C(C)C=C2)=N1
InChIKey
InChIKey=IQIMMXXUSJHOPS-UHFFFAOYSA-N
Formula
C21H20N2O3S
Mass
380.46
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
o-Xylenes Thiazolecarboxylic acids and derivatives Benzoyl derivatives Aryl alkyl ketones Aniline and substituted anilines Toluenes 2,4-disubstituted thiazoles 2-amino-1,3-thiazoles Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Secondary amines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Benzoyl - Thiazolecarboxylic acid or derivatives - O-xylene - Xylene - Aryl alkyl ketone - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Toluene - Benzenoid - 1,3-thiazol-2-amine - Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Azole - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Secondary amine - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Amine - 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