Structure Information
Structure

Compound Identification

SMILES

O=C(NC(=S)NC1=CC=CC(=C1)C1=NC2=C(O1)C=CC=N2)C1=CC2=C(OCO2)C=C1

InChIKey

InChIKey=STVBVQNMHJOLCE-UHFFFAOYSA-N

Formula

C21H14N4O4S

Mass

418.43

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

N-acyl-phenylthiourea - Phenyl-1,3-oxazole - Benzodioxole - 1,3-oxazolopyridine - Pyridine - Azole - Heteroaromatic compound - Oxazole - Thiourea - Carboxylic acid derivative - Oxacycle - Acetal - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - 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

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