Compound Identification
SMILES
CC(=O)C1=CC(=CC=C1)C(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC1=NC(C)=CC(C)=N1
InChIKey
InChIKey=PCPVLOVVNXRUIW-UHFFFAOYSA-N
Formula
C22H21N5O4S2
Mass
483.56
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
N-phenylthioureas
- Level 5 N-acyl-phenylthioureas
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Subclass
N-phenylthioureas
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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 Benzenesulfonamides Acetophenones Benzoic acids and derivatives Benzenesulfonyl compounds Aryl alkyl ketones Benzoyl derivatives Pyrimidines and pyrimidine derivatives Organosulfonamides Aminosulfonyl compounds Heteroaromatic compounds Thioureas Carboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - N-acyl-phenylthiourea - Benzenesulfonamide - Acetophenone - Benzoic acid or derivatives - Phenylketone - Benzenesulfonyl group - Benzoyl - Aryl alkyl ketone - Aryl ketone - Pyrimidine - Organosulfonic acid amide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Ketone - Thiourea - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic 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