Compound Identification
SMILES
COC1=C(C=CC=C1C)C(=O)NC(=S)NC1=C(C)C=C(C=C1)C1=NN2C(C)=NN=C2S1
InChIKey
InChIKey=LWWLQHMGKUMLLZ-UHFFFAOYSA-N
Formula
C21H20N6O2S2
Mass
452.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
m-Toluamides Benzoic acids and derivatives Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Heteroaromatic compounds Triazoles Thiadiazoles Thioureas Azacyclic compounds Carboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-phenylthiourea - M-toluamide - Toluamide - Benzoic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Toluene - Azole - Heteroaromatic compound - 1,2,4-triazole - Thiadiazole - Thiourea - Azacycle - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur 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