Compound Identification
SMILES
COC1=CC(OC)=C(C=C1)C(=O)[C@@H]1CCCN(CC2=CN=C(SC)N=C2)C1
InChIKey
InChIKey=HPXIGIQJXXGTEO-OAHLLOKOSA-N
Formula
C20H25N3O3S
Mass
387.5
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
-
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
Dimethoxybenzenes Anisoles Aryl alkyl ketones Benzoyl derivatives Phenoxy compounds Alkyl aryl ethers Alkylarylthioethers Aralkylamines Beta-amino ketones Piperidines Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Trialkylamines Azacyclic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - M-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Aryl alkyl ketone - Benzoyl - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Alkylarylthioether - Pyrimidine - Piperidine - Monocyclic benzene moiety - Beta-aminoketone - Benzenoid - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Ether - Sulfenyl compound - 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