Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(Cl)C2=C(S1)C=C(NC(=S)NC1=CC(OCC(F)(F)C(F)F)=CC(OCC(F)(F)F)=C1)C=C2

InChIKey

InChIKey=JQONIIHJBSLSQL-UHFFFAOYSA-N

Formula

C22H16ClF7N2O4S2

Mass

604.94

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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

N-phenylthiourea - 1-benzothiophene - Benzothiophene - Phenoxy compound - Thiophene carboxylic acid or derivatives - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Methyl ester - Thiophene - Carboxylic acid ester - Thiourea - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organochloride - Organohalogen compound - Organosulfur compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen 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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