Compound Identification
SMILES
COC1=CC=CC=C1C=CC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1
InChIKey
InChIKey=NJNKUGBXADXSQV-UHFFFAOYSA-N
Formula
C20H18N4O4S3
Mass
474.57
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
Coumaric acids and derivatives Benzenesulfonamides Benzenesulfonyl compounds Anisoles Styrenes Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Organosulfonamides Aminosulfonyl compounds Thiazoles Heteroaromatic compounds Thioureas Azacyclic compounds Carboxylic acids and derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Cinnamic acid or derivatives - Coumaric acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Anisole - Phenoxy compound - Phenol ether - Styrene - Methoxybenzene - Alkyl aryl ether - Organosulfonic acid amide - Aminosulfonyl compound - Thiazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azole - Heteroaromatic compound - Thiourea - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - 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