Compound Identification
SMILES
OC1=CC(O)=C(C=C1)C(=O)CSC1=NNC(N1C[C@H]1CCCO1)=C1C=NC2=CC=CC=C12
InChIKey
InChIKey=JXUZBXRTBUBKTE-OAHLLOKOSA-N
Formula
C23H22N4O4S
Mass
450.51
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
Indoles and derivatives Resorcinols Aryl alkyl ketones Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Triazolines Oxolanes Tertiary amines Ketene acetals Hydrazones Dialkyl ethers Oxacyclic compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Imines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Indole or derivatives - Benzoyl - Aryl alkyl ketone - Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Triazoline - Oxolane - Vinylogous acid - Ketene acetal or derivatives - Tertiary amine - Dialkyl ether - Ether - Hydrazone - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic oxide - Organonitrogen compound - Organosulfur compound - Amine - Organic nitrogen compound - Imine - Hydrocarbon derivative - Aromatic heteropolycyclic 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