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

Systemtic Name: N-(2-bromanyl-4-fluoranyl-phenyl)-2-[(4-ethanoyl-3-fluoranyl-phenoxy)methyl]morpholine-4-carbothioamide Openeye Name: 2-[(4-acetyl-3-fluoro-phenoxy)methyl]-N-(2-bromo-4-fluoro-phenyl)morpholine-4-carbothioamide CAS Name: 2-[(4-acetyl-3-fluorophenoxy)methyl]-N-(2-bromo-4-fluorophenyl)-4-morpholinecarbothioamide IUPAC Name: 2-[(4-acetyl-3-fluorophenoxy)methyl]-N-(2-bromo-4-fluorophenyl)morpholine-4-carbothioamide Traditional Name: 2-[(4-acetyl-3-fluoro-phenoxy)methyl]-N-(2-bromo-4-fluoro-phenyl)morpholine-4-carbothioamide Formula: C20H19BrF2N2O3S MolecularWeight: 485.342266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)OCC2CN(CCO2)C(=S)NC3=C(C=C(C=C3)F)Br)F

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)OCC2CN(CCO2)C(=S)NC3=C(C=C(C=C3)F)Br)F

InChI

InChI=1S/C20H19BrF2N2O3S/c1-12(26)16-4-3-14(9-18(16)23)28-11-15-10-25(6-7-27-15)20(29)24-19-5-2-13(22)8-17(19)21/h2-5,8-9,15H,6-7,10-11H2,1H3,(H,24,29)