Compound Identification
SMILES
CCOC1=CC=C(C=C1)C(=O)[C@@H](C)SC1=NN=C(NCC2=CC=CC=C2)S1
InChIKey
InChIKey=DVCVOXVQBVKEHD-CQSZACIVSA-N
Formula
C20H21N3O2S2
Mass
399.53
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
Phenylpropanes Phenoxy compounds Phenol ethers Benzylamines Benzoyl derivatives Aryl alkyl ketones Alkylarylthioethers Alkyl aryl ethers 2-amino-5-substituted-1,3,4-thiadiazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenylpropane - Phenoxy compound - Aryl thioether - Phenol ether - Benzylamine - Aryl alkyl ketone - Benzoyl - Alkyl aryl ether - Alkylarylthioether - 2-amino-5-substituted-1,3,4-thiadiazole - Benzenoid - Monocyclic benzene moiety - 2-amino-1,3,4-thiadiazole - Heteroaromatic compound - Azole - Thiadiazole - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Ether - Thioether - Amine - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - 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