Structure Information
Structure

Compound Identification

SMILES

CCCC1CCN(CCCNC(=S)NC2=C(F)C=CC(=C2)C2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OC)CC1

InChIKey

InChIKey=GTKJXSOAANEJHD-UHFFFAOYSA-N

Formula

C29H41FN4O4S

Mass

560.73

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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 - Dihydropyridinecarboxylic acid derivative - Dihydropyridine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Dicarboxylic acid or derivatives - Hydropyridine - Piperidine - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Tertiary aliphatic amine - Thiourea - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Enamine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur 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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