Compound Identification
SMILES
CC(=O)NC1=CC=C(NC(=O)CSC2=NC(C)=C(CC(=O)C3=CC=C(Br)C=C3)C(C)=C2C#N)C=C1
InChIKey
InChIKey=BTSFWILYAXYWSX-UHFFFAOYSA-N
Formula
C26H23BrN4O3S
Mass
551.46
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
-
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
Acetanilides N-acetylarylamines 3-pyridinecarbonitriles Aryl alkyl ketones Benzoyl derivatives Alkylarylthioethers Methylpyridines Bromobenzenes Aryl bromides Acetamides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Nitriles Sulfenyl compounds Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Acetanilide - Anilide - N-acetylarylamine - Aryl thioether - Benzoyl - 3-pyridinecarbonitrile - Aryl alkyl ketone - N-arylamide - Methylpyridine - Halobenzene - Bromobenzene - Alkylarylthioether - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Pyridine - Benzenoid - Heteroaromatic compound - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Thioether - Carbonitrile - Nitrile - Organic oxide - Cyanide - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organosulfur 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