N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methyl-2-[1-(oxolan-2-ylmethylcarbamothioyl)piperidin-4-yl]pyridine-3-carboxamide

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methyl-2-[1-(oxolan-2-ylmethylcarbamothioyl)piperidin-4-yl]pyridine-3-carboxamide Openeye Name: N-[2-(2-furylmethylsulfanyl)ethyl]-6-methyl-2-[1-(tetrahydrofuran-2-ylmethylcarbamothioyl)-4-piperidyl]pyridine-3-carboxamide CAS Name: N-[2-(2-furanylmethylthio)ethyl]-6-methyl-2-[1-[(2-oxolanylmethylamino)-sulfanylidenemethyl]-4-piperidinyl]-3-pyridinecarboxamide IUPAC Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methyl-2-[1-(oxolan-2-ylmethylcarbamothioyl)piperidin-4-yl]pyridine-3-carboxamide Traditional Name: N-[2-(2-furfurylthio)ethyl]-6-methyl-2-[1-(tetrahydrofurfurylthiocarbamoyl)-4-piperidyl]nicotinamide Formula: C25H34N4O3S2 MolecularWeight: 502.69246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NCCSCC2=CC=CO2)C3CCN(CC3)C(=S)NCC4CCCO4

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NCCSCC2=CC=CO2)C3CCN(CC3)C(=S)NCC4CCCO4

InChI

InChI=1S/C25H34N4O3S2/c1-18-6-7-22(24(30)26-10-15-34-17-21-5-3-14-32-21)23(28-18)19-8-11-29(12-9-19)25(33)27-16-20-4-2-13-31-20/h3,5-7,14,19-20H,2,4,8-13,15-17H2,1H3,(H,26,30)(H,27,33)