Compound Identification
SMILES
CC(=O)C1=CC=C(NC(=O)CC2SC(=NC3=C(C)C=C(C)C=C3)N(CC3=CC4=C(OCO4)C=C3)C2=O)C=C1
InChIKey
InChIKey=JXVYDFDPZSONGO-UHFFFAOYSA-N
Formula
C29H27N3O5S
Mass
529.61
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
Acetophenones Anilides Benzodioxoles m-Xylenes Aryl alkyl ketones Benzoyl derivatives N-arylamides Thiazolidines Secondary carboxylic acid amides Isothioureas Azacyclic compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Acetals Organic oxides Organopnictogen compounds Aldehydes Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Acetophenone - Benzodioxole - Anilide - M-xylene - Xylene - Benzoyl - N-arylamide - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - Thiazolidine - Carboxamide group - Isothiourea - Secondary carboxylic acid amide - Azacycle - Oxacycle - Carboxylic acid derivative - Acetal - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Aldehyde - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - 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