N-(1,3-benzodioxol-5-yl)-2-[(4-ethanoyl-3-fluoranyl-phenoxy)methyl]morpholine-4-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(4-ethanoyl-3-fluoranyl-phenoxy)methyl]morpholine-4-carbothioamide Openeye Name: 2-[(4-acetyl-3-fluoro-phenoxy)methyl]-N-(1,3-benzodioxol-5-yl)morpholine-4-carbothioamide CAS Name: 2-[(4-acetyl-3-fluorophenoxy)methyl]-N-(1,3-benzodioxol-5-yl)-4-morpholinecarbothioamide IUPAC Name: 2-[(4-acetyl-3-fluorophenoxy)methyl]-N-(1,3-benzodioxol-5-yl)morpholine-4-carbothioamide Traditional Name: 2-[(4-acetyl-3-fluoro-phenoxy)methyl]-N-(1,3-benzodioxol-5-yl)morpholine-4-carbothioamide Formula: C21H21FN2O5S MolecularWeight: 432.465243

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)OCC2CN(CCO2)C(=S)NC3=CC4=C(C=C3)OCO4)F

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)OCC2CN(CCO2)C(=S)NC3=CC4=C(C=C3)OCO4)F

InChI

InChI=1S/C21H21FN2O5S/c1-13(25)17-4-3-15(9-18(17)22)27-11-16-10-24(6-7-26-16)21(30)23-14-2-5-19-20(8-14)29-12-28-19/h2-5,8-9,16H,6-7,10-12H2,1H3,(H,23,30)