Compound Identification
SMILES
COC1=NC(OC)=NC(NS(=O)(=O)C2=CC=C(NC(=S)NC(=O)C3=CC=C(C=C3)[N+]([O-])=O)C=C2)=C1
InChIKey
InChIKey=FSUCAKDDZLUCQX-UHFFFAOYSA-N
Formula
C20H18N6O7S2
Mass
518.52
Taxonomic Classification
Taxonomy Tree
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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
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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 Benzenesulfonyl compounds Benzoic acids and derivatives Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Alkyl aryl ethers Organosulfonamides Imidolactams Pyrimidines and pyrimidine derivatives Aminosulfonyl compounds Heteroaromatic compounds Thioureas Organic oxoazanium compounds Carboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Benzenesulfonamide - Benzoic acid or derivatives - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Benzoyl - Alkyl aryl ether - Pyrimidine - Organosulfonic acid amide - Imidolactam - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - C-nitro compound - Thiourea - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic salt - Hydrocarbon derivative - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organic oxygen compound - Organic nitrogen 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