Compound Identification
SMILES
CCN1C(SCC(=O)C2=CC=C(Br)C=C2)=NN=C1C(NC(=O)C1=CC2=C(OCO2)C=C1)C(C)C
InChIKey
InChIKey=ULVQESDZWFFLGC-UHFFFAOYSA-N
Formula
C24H25BrN4O4S
Mass
545.45
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
Benzodioxoles Aryl alkyl ketones Benzoyl derivatives Alkylarylthioethers Bromobenzenes Aryl bromides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Sulfenyl compounds Acetals Hydrocarbon derivatives Aldehydes Organonitrogen compounds Organopnictogen compounds Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Benzodioxole - Aryl thioether - Benzoyl - Aryl alkyl ketone - Bromobenzene - Alkylarylthioether - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - 1,2,4-triazole - Carboxamide group - Secondary carboxylic acid amide - Thioether - Oxacycle - Azacycle - Organoheterocyclic compound - Acetal - Carboxylic acid derivative - Sulfenyl compound - Organic nitrogen compound - Aldehyde - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organosulfur 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