2-[(4-ethanoyl-3-fluoranyl-phenoxy)methyl]-N-[(2-fluorophenyl)methyl]morpholine-4-carbothioamide

Systemtic Name: 2-[(4-ethanoyl-3-fluoranyl-phenoxy)methyl]-N-[(2-fluorophenyl)methyl]morpholine-4-carbothioamide Openeye Name: 2-[(4-acetyl-3-fluoro-phenoxy)methyl]-N-[(2-fluorophenyl)methyl]morpholine-4-carbothioamide CAS Name: 2-[(4-acetyl-3-fluorophenoxy)methyl]-N-[(2-fluorophenyl)methyl]-4-morpholinecarbothioamide IUPAC Name: 2-[(4-acetyl-3-fluorophenoxy)methyl]-N-[(2-fluorophenyl)methyl]morpholine-4-carbothioamide Traditional Name: 2-[(4-acetyl-3-fluoro-phenoxy)methyl]-N-(2-fluorobenzyl)morpholine-4-carbothioamide Formula: C21H22F2N2O3S MolecularWeight: 420.472786

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)OCC2CN(CCO2)C(=S)NCC3=CC=CC=C3F)F

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)OCC2CN(CCO2)C(=S)NCC3=CC=CC=C3F)F

InChI

InChI=1S/C21H22F2N2O3S/c1-14(26)18-7-6-16(10-20(18)23)28-13-17-12-25(8-9-27-17)21(29)24-11-15-4-2-3-5-19(15)22/h2-7,10,17H,8-9,11-13H2,1H3,(H,24,29)