Compound Identification
SMILES
CC1=CC(C)=C(NC(=O)CC2=NN=C(SCC(=O)C3=CC=C(Br)C=C3)N2CC=C)C=C1
InChIKey
InChIKey=VJKUREDKTIEUKE-UHFFFAOYSA-N
Formula
C23H23BrN4O2S
Mass
499.43
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
-
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
Anilides m-Xylenes Aryl alkyl ketones N-arylamides Benzoyl derivatives Alkylarylthioethers Bromobenzenes Aryl bromides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Anilide - N-arylamide - Aryl alkyl ketone - Benzoyl - Xylene - M-xylene - Aryl thioether - Alkylarylthioether - Bromobenzene - Halobenzene - Monocyclic benzene moiety - Aryl bromide - Benzenoid - Aryl halide - Heteroaromatic compound - Azole - 1,2,4-triazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organosulfur compound - Organohalogen compound - Organobromide - Organonitrogen compound - 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