Structure Information
Structure

Compound Identification

SMILES

C[C@@H](NC(=O)NC1=CC=CC(CSC2=NC=NC3=C2C=NN3)=C1)C1=CC=CC=C1

InChIKey

InChIKey=QCFCVXJCFYWVQE-CQSZACIVSA-N

Formula

C21H20N6OS

Mass

404.49

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

N-phenylureas

Intermediate Tree Nodes

Not available

Direct Parent

N-phenylureas

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

N-phenylurea - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - Aryl thioether - Alkylarylthioether - Pyrimidine - Azole - Pyrazole - Heteroaromatic compound - Urea - Sulfenyl compound - Thioether - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.

External Descriptors

Not available

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