Compound Identification
SMILES
CC(=O)C1=CC(NC(=S)NC(=O)CC2=CC=CC3=CC=CC=C23)=CC=C1
InChIKey
InChIKey=DNIBZFMOABUNBE-UHFFFAOYSA-N
Formula
C21H18N2O2S
Mass
362.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
N-phenylthioureas
- Level 5 N-acyl-phenylthioureas
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Subclass
N-phenylthioureas
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylthioureas
Intermediate Tree Nodes
Not available
Direct Parent
N-acyl-phenylthioureas
Alternative Parents
Alkyl-phenylketones Naphthalenes Acetophenones Benzoyl derivatives Aryl alkyl ketones Thioureas Carboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
N-acyl-phenylthiourea - Alkyl-phenylketone - Naphthalene - Acetophenone - Phenylketone - Benzoyl - Aryl alkyl ketone - Aryl ketone - Ketone - Thiourea - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organosulfur compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-phenylthioureas. These are thiourea derivatives where one nitrogen atom of the urea group is linked to a phenyl group and the other is acylated.
External Descriptors
Not available