Compound Identification
SMILES
COC1=NC(OC)=NC(NS(=O)(=O)C2=CC=C(NC(=S)NC(=O)CC3=CC=CC=C3)C=C2)=C1
InChIKey
InChIKey=JSSKPZTZPWBLGG-UHFFFAOYSA-N
Formula
C21H21N5O5S2
Mass
487.55
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 Phenylacetamides Benzenesulfonyl compounds Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Organosulfonamides Imidolactams Heteroaromatic compounds Aminosulfonyl compounds Thioureas Carboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Benzenesulfonamide - Phenylacetamide - Benzenesulfonyl group - Alkyl aryl ether - Pyrimidine - Organosulfonic acid amide - Imidolactam - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Thiourea - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organosulfur compound - Organic nitrogen compound - Carbonyl group - 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