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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethanoyl-3-fluoranyl-phenoxy)methyl]morpholine-4-carbothioamide Openeye Name: 2-[(4-acetyl-3-fluoro-phenoxy)methyl]-N-(1,3-benzodioxol-5-ylmethyl)morpholine-4-carbothioamide CAS Name: 2-[(4-acetyl-3-fluorophenoxy)methyl]-N-(1,3-benzodioxol-5-ylmethyl)-4-morpholinecarbothioamide IUPAC Name: 2-[(4-acetyl-3-fluorophenoxy)methyl]-N-(1,3-benzodioxol-5-ylmethyl)morpholine-4-carbothioamide Traditional Name: 2-[(4-acetyl-3-fluoro-phenoxy)methyl]-N-piperonyl-morpholine-4-carbothioamide Formula: C22H23FN2O5S MolecularWeight: 446.491823

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)OCC2CN(CCO2)C(=S)NCC3=CC4=C(C=C3)OCO4)F

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)OCC2CN(CCO2)C(=S)NCC3=CC4=C(C=C3)OCO4)F

InChI

InChI=1S/C22H23FN2O5S/c1-14(26)18-4-3-16(9-19(18)23)28-12-17-11-25(6-7-27-17)22(31)24-10-15-2-5-20-21(8-15)30-13-29-20/h2-5,8-9,17H,6-7,10-13H2,1H3,(H,24,31)