Structure Information
Structure

Compound Identification

SMILES

CC1=C(SC(NC(=S)NC2=CC=C(C)C=C2)=N1)C(=O)NNC(=S)NC1=CC=C(C)C=C1

InChIKey

InChIKey=PYOMRKTUUPQSPL-UHFFFAOYSA-N

Formula

C21H22N6OS3

Mass

470.63

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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 - 2,4,5-trisubstituted 1,3-thiazole - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - Toluene - Azole - Thiazole - Thiosemicarbazide - Heteroaromatic compound - Carboxylic acid hydrazide - Thiourea - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen 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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