N-(1,3-benzodioxol-5-yl)-1-(2-morpholin-4-ylethylcarbamothioyl)piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(2-morpholin-4-ylethylcarbamothioyl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(2-morpholinoethylcarbamothioyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[[2-(4-morpholinyl)ethylamino]-sulfanylidenemethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(2-morpholin-4-ylethylcarbamothioyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(2-morpholinoethylthiocarbamoyl)isonipecotamide Formula: C20H28N4O4S MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=S)NCCN4CCOCC4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=S)NCCN4CCOCC4

InChI

InChI=1S/C20H28N4O4S/c25-19(22-16-1-2-17-18(13-16)28-14-27-17)15-3-6-24(7-4-15)20(29)21-5-8-23-9-11-26-12-10-23/h1-2,13,15H,3-12,14H2,(H,21,29)(H,22,25)