Compound Identification
SMILES
CC(=O)C1=CC=C(NC(=O)CC2SC(NC3=CC4=C(OCCO4)C=C3)=NC2=O)C=C1
InChIKey
InChIKey=OHUMVTLRIJCDKA-UHFFFAOYSA-N
Formula
C21H19N3O5S
Mass
425.46
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
Benzo-1,4-dioxanes Acetophenones Anilides Aryl alkyl ketones N-arylamides Benzoyl derivatives Alkyl aryl ethers Para dioxins Thiazolines Secondary carboxylic acid amides N-acylimines Isothioureas Azacyclic compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Organopnictogen compounds Aldehydes Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Benzo-1,4-dioxane - Benzodioxane - Acetophenone - Anilide - Benzoyl - Aryl alkyl ketone - N-arylamide - Alkyl aryl ether - Monocyclic benzene moiety - Para-dioxin - Benzenoid - Meta-thiazoline - Carboxamide group - N-acylimine - Isothiourea - Secondary carboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Aldehyde - 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