N-(1,3-benzodioxol-5-yl)-1-(oxolan-2-ylmethylcarbamothioyl)piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(oxolan-2-ylmethylcarbamothioyl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(tetrahydrofuran-2-ylmethylcarbamothioyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(2-oxolanylmethylamino)-sulfanylidenemethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(oxolan-2-ylmethylcarbamothioyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(tetrahydrofurfurylthiocarbamoyl)isonipecotamide Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC(OC1)CNC(=S)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H25N3O4S/c23-18(21-14-3-4-16-17(10-14)26-12-25-16)13-5-7-22(8-6-13)19(27)20-11-15-2-1-9-24-15/h3-4,10,13,15H,1-2,5-9,11-12H2,(H,20,27)(H,21,23)