Structure Information
Structure

Compound Identification

SMILES

CCOC1=CC=C(C=C1)N1C(=S)N[C@@H](C2=CC(F)=CC=C2)C(C(=O)OC)=C1C

InChIKey

InChIKey=CERGDTYUMUGMMA-IBGZPJMESA-N

Formula

C21H21FN2O3S

Mass

400.47

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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 - Hydropyrimidine carboxylic acid derivative - Phenoxy compound - Phenol ether - Alkyl aryl ether - 2-thiopyrimidine - Thiopyrimidine - Fluorobenzene - Halobenzene - Pyrimidinethione - Aryl fluoride - Aryl halide - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Pyrimidine - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Thiourea - Carboxylic acid ester - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organohalogen 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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