Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(NC(=S)N(CCCN2C=CN=C2)CC2=CC=C(F)C=C2)=C1

InChIKey

InChIKey=SYMKHDKMCHCNDJ-UHFFFAOYSA-N

Formula

C21H23FN4OS

Mass

398.5

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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 - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Thiourea - Organoheterocyclic compound - Ether - Azacycle - Organohalogen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organooxygen 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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