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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(furan-2-ylmethylcarbamothioyl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(2-furylmethylcarbamothioyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(2-furanylmethylamino)-sulfanylidenemethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(furan-2-ylmethylcarbamothioyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(2-furfurylthiocarbamoyl)isonipecotamide Formula: C19H21N3O4S MolecularWeight: 387.45274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=S)NCC4=CC=CO4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=S)NCC4=CC=CO4

InChI

InChI=1S/C19H21N3O4S/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/h1-4,9-10,13H,5-8,11-12H2,(H,20,27)(H,21,23)