2-(1,3-benzodioxol-5-yloxymethyl)-N-[(2-fluorophenyl)methyl]morpholine-4-carbothioamide

Systemtic Name: 2-(1,3-benzodioxol-5-yloxymethyl)-N-[(2-fluorophenyl)methyl]morpholine-4-carbothioamide Openeye Name: 2-(1,3-benzodioxol-5-yloxymethyl)-N-[(2-fluorophenyl)methyl]morpholine-4-carbothioamide CAS Name: 2-(1,3-benzodioxol-5-yloxymethyl)-N-[(2-fluorophenyl)methyl]-4-morpholinecarbothioamide IUPAC Name: 2-(1,3-benzodioxol-5-yloxymethyl)-N-[(2-fluorophenyl)methyl]morpholine-4-carbothioamide Traditional Name: 2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-fluorobenzyl)morpholine-4-carbothioamide Formula: C20H21FN2O4S MolecularWeight: 404.455143

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CN1C(=S)NCC2=CC=CC=C2F)COC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COC(CN1C(=S)NCC2=CC=CC=C2F)COC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21FN2O4S/c21-17-4-2-1-3-14(17)10-22-20(28)23-7-8-24-16(11-23)12-25-15-5-6-18-19(9-15)27-13-26-18/h1-6,9,16H,7-8,10-13H2,(H,22,28)