Compound Identification
SMILES
CC1=CC(C)=NC(SCC(=O)NC2=C(C(=O)C3=CC=C(Br)C=C3)C3=C(CCCC3)S2)=N1
InChIKey
InChIKey=LZWKHDNNUWLGOD-UHFFFAOYSA-N
Formula
C23H22BrN3O2S2
Mass
516.47
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 Aryl-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
Aryl-phenylketones
Alternative Parents
3-aroylthiophenes Benzoyl derivatives N-arylamides Thiophene carboxylic acids and derivatives Alkylarylthioethers Bromobenzenes Pyrimidines and pyrimidine derivatives Aryl bromides Heteroaromatic compounds Vinylogous amides Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl-phenylketone - 3-aroylthiophene - Benzoyl - Aryl thioether - Thiophene carboxylic acid or derivatives - N-arylamide - Bromobenzene - Halobenzene - Alkylarylthioether - Aryl halide - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Aryl bromide - Heteroaromatic compound - Thiophene - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Thioether - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors
Not available