2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-bromanyl-4-fluoranyl-phenyl)morpholine-4-carbothioamide

Systemtic Name: 2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-bromanyl-4-fluoranyl-phenyl)morpholine-4-carbothioamide Openeye Name: 2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-bromo-4-fluoro-phenyl)morpholine-4-carbothioamide CAS Name: 2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-bromo-4-fluorophenyl)-4-morpholinecarbothioamide IUPAC Name: 2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-bromo-4-fluorophenyl)morpholine-4-carbothioamide Traditional Name: 2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-bromo-4-fluoro-phenyl)morpholine-4-carbothioamide Formula: C19H18BrFN2O4S MolecularWeight: 469.324623

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CN1C(=S)NC2=C(C=C(C=C2)F)Br)COC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COC(CN1C(=S)NC2=C(C=C(C=C2)F)Br)COC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H18BrFN2O4S/c20-15-7-12(21)1-3-16(15)22-19(28)23-5-6-24-14(9-23)10-25-13-2-4-17-18(8-13)27-11-26-17/h1-4,7-8,14H,5-6,9-11H2,(H,22,28)