Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(C)C(C(=O)OC)=C(NC(=S)NC2=CC=CC(CN3C=C(Cl)C=N3)=C2)S1

InChIKey

InChIKey=ZMIAPRSCNKEHFP-UHFFFAOYSA-N

Formula

C20H19ClN4O4S2

Mass

478.97

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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-phenylthioureas

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

N-phenylthiourea - Thiophene carboxylic acid or derivatives - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Azole - Pyrazole - Thiophene - Methyl ester - Vinylogous amide - Heteroaromatic compound - Thiourea - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Aromatic heteromonocyclic compound

Description

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

External Descriptors

Not available

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