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

Systemtic Name: 2-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(trifluoromethyloxy)phenyl]morpholine-4-carbothioamide Openeye Name: 2-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(trifluoromethoxy)phenyl]morpholine-4-carbothioamide CAS Name: 2-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(trifluoromethoxy)phenyl]-4-morpholinecarbothioamide IUPAC Name: 2-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(trifluoromethoxy)phenyl]morpholine-4-carbothioamide Traditional Name: 2-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(trifluoromethoxy)phenyl]morpholine-4-carbothioamide Formula: C20H19F3N2O5S MolecularWeight: 456.43547

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CN1C(=S)NC2=CC=CC=C2OC(F)(F)F)COC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COC(CN1C(=S)NC2=CC=CC=C2OC(F)(F)F)COC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H19F3N2O5S/c21-20(22,23)30-16-4-2-1-3-15(16)24-19(31)25-7-8-26-14(10-25)11-27-13-5-6-17-18(9-13)29-12-28-17/h1-6,9,14H,7-8,10-12H2,(H,24,31)