Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(O)=O.CC(C)(C)CN1CCC(C=C1)C1=CNC2=C1N=C(NC(=S)NC1=CC=C(C=C1)C(F)(F)F)C=C2

InChIKey

InChIKey=XXKRAKOUGDFTTI-UHFFFAOYSA-N

Formula

C27H30F3N5O4S

Mass

577.62

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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

Not available

Substituents

Trifluoromethylbenzene - N-phenylthiourea - Pyrrolopyridine - Aralkylamine - Tetrahydropyridine - Dicarboxylic acid or derivatives - Hydropyridine - Pyridine - Substituted pyrrole - Imidolactam - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Thiourea - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Enamine - Allylamine - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Alkyl halide - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Alkyl fluoride - 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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