N-(5-chloranyl-2-fluoranyl-phenyl)-2-[(3-ethynylphenoxy)methyl]morpholine-4-carbothioamide

Systemtic Name: N-(5-chloranyl-2-fluoranyl-phenyl)-2-[(3-ethynylphenoxy)methyl]morpholine-4-carbothioamide Openeye Name: N-(5-chloro-2-fluoro-phenyl)-2-[(3-ethynylphenoxy)methyl]morpholine-4-carbothioamide CAS Name: N-(5-chloro-2-fluorophenyl)-2-[(3-ethynylphenoxy)methyl]-4-morpholinecarbothioamide IUPAC Name: N-(5-chloro-2-fluorophenyl)-2-[(3-ethynylphenoxy)methyl]morpholine-4-carbothioamide Traditional Name: N-(5-chloro-2-fluoro-phenyl)-2-[(3-ethynylphenoxy)methyl]morpholine-4-carbothioamide Formula: C20H18ClFN2O2S MolecularWeight: 404.885523

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)OCC2CN(CCO2)C(=S)NC3=C(C=CC(=C3)Cl)F

Isomeric SMILES

C#CC1=CC(=CC=C1)OCC2CN(CCO2)C(=S)NC3=C(C=CC(=C3)Cl)F

InChI

InChI=1S/C20H18ClFN2O2S/c1-2-14-4-3-5-16(10-14)26-13-17-12-24(8-9-25-17)20(27)23-19-11-15(21)6-7-18(19)22/h1,3-7,10-11,17H,8-9,12-13H2,(H,23,27)