Compound Identification
SMILES
C[C@H]1C[C@@H](C)CN(C1)C1=NN=C(SCC(=O)C2=C(O)C=C(O)C=C2)N1CC1=CC=CO1
InChIKey
InChIKey=ZHJYMKWQVDQBHK-GASCZTMLSA-N
Formula
C22H26N4O4S
Mass
442.53
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
Resorcinols Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkylarylthioethers Piperidines Vinylogous acids Triazoles Furans Heteroaromatic compounds Azacyclic compounds Sulfenyl compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Aryl thioether - Benzoyl - Resorcinol - Dialkylarylamine - Aryl alkyl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkylarylthioether - Monocyclic benzene moiety - Piperidine - Benzenoid - Azole - Furan - Heteroaromatic compound - 1,2,4-triazole - Vinylogous acid - Thioether - Oxacycle - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - 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