Compound Identification
SMILES
COC1=CC=CC(=C1)C(=O)COC(=O)C1=CSC(NC2=CC(C)=C(C)C=C2)=N1
InChIKey
InChIKey=FMTBNWHJEQOYJX-UHFFFAOYSA-N
Formula
C21H20N2O4S
Mass
396.46
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 Phenoxy compounds Methoxybenzenes Aniline and substituted anilines Benzoyl derivatives Anisoles Aryl alkyl ketones 2,4-disubstituted thiazoles Alkyl aryl ethers 2-amino-1,3-thiazoles Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Secondary amines Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenoxy compound - O-xylene - Xylene - Anisole - Benzoyl - Methoxybenzene - Aniline or substituted anilines - Phenol ether - Aryl alkyl ketone - Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Monocyclic benzene moiety - 1,3-thiazol-2-amine - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Carboxylic acid ester - Amino acid or derivatives - Ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Secondary amine - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - 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