Structure Information
Structure

Compound Identification

SMILES

CN1C(C=C2C(=O)NC(=S)N(C2=O)C2=CC=CC(=C2)C(F)(F)F)=CC2=CC=CC=C12

InChIKey

InChIKey=XVYGQSXUKIVGNV-UHFFFAOYSA-N

Formula

C21H14F3N3O2S

Mass

429.42

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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 heteropolycyclic compounds

Substituents

Trifluoromethylbenzene - N-alkylindole - N-phenylthiourea - Indole - Indole or derivatives - Thiobarbiturate - 1,3-diazinane - N-methylpyrrole - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Thiourea - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Alkyl halide - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Aromatic heteropolycyclic 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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