Compound Identification
SMILES
CC(=O)C1=CC=C(NC(=S)NCCN2C(=O)SC(=CC3=CC(Br)=CC=C3)C2=O)C=C1
InChIKey
InChIKey=IHXRXCGBMRUVNS-UHFFFAOYSA-N
Formula
C21H18BrN3O3S2
Mass
504.42
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
N-phenylthioureas Acetophenones Benzoyl derivatives Aryl alkyl ketones Thiazolidinediones Bromobenzenes Aryl bromides Dicarboximides Thioureas Thiocarbamic acid derivatives Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - N-phenylthiourea - Acetophenone - Benzoyl - Aryl alkyl ketone - Bromobenzene - Halobenzene - Thiazolidinedione - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Dicarboximide - Thiazolidine - Thiocarbamic acid derivative - Thiourea - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organosulfur compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen 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