Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC2=C1OC1(C)C(C2NC(=S)N1C1=CC=C(F)C=C1)C(=O)OCC=C

InChIKey

InChIKey=ZNRWQALSZIMNCI-UHFFFAOYSA-N

Formula

C22H21FN2O4S

Mass

428.48

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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

Chromane - Benzopyran - 1-benzopyran - N-phenylthiourea - Anisole - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - 1,3-diazinane - Carboxylic acid ester - Thiourea - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Carbonyl group - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - 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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