Compound Identification
SMILES
CC1=CC=CC=C1C(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N1CCC2=CC=CC=C12
InChIKey
InChIKey=MYSHUIRSOQUIHR-UHFFFAOYSA-N
Formula
C23H21N3O3S2
Mass
451.56
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
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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
Benzenesulfonamides o-Toluamides Indoles and derivatives Benzoic acids and derivatives Benzenesulfonyl compounds Benzoyl derivatives Organosulfonamides Sulfonyls Thioureas Carboxylic acids and derivatives Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-phenylthiourea - Benzenesulfonamide - Benzoic acid or derivatives - Benzenesulfonyl group - O-toluamide - Toluamide - Indole or derivatives - Benzoyl - Toluene - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Thiourea - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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