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

Systemtic Name: N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-(oxolan-2-ylmethylcarbamothioyl)piperidin-4-yl]pyridine-3-carboxamide Openeye Name: N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-(tetrahydrofuran-2-ylmethylcarbamothioyl)-4-piperidyl]pyridine-3-carboxamide CAS Name: N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-[(2-oxolanylmethylamino)-sulfanylidenemethyl]-4-piperidinyl]-3-pyridinecarboxamide IUPAC Name: N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-(oxolan-2-ylmethylcarbamothioyl)piperidin-4-yl]pyridine-3-carboxamide Traditional Name: N-(2-ethoxybenzyl)-6-methyl-2-[1-(tetrahydrofurfurylthiocarbamoyl)-4-piperidyl]nicotinamide Formula: C27H36N4O3S MolecularWeight: 496.66474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNC(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=S)NCC4CCCO4

Isomeric SMILES

CCOC1=CC=CC=C1CNC(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=S)NCC4CCCO4

InChI

InChI=1S/C27H36N4O3S/c1-3-33-24-9-5-4-7-21(24)17-28-26(32)23-11-10-19(2)30-25(23)20-12-14-31(15-13-20)27(35)29-18-22-8-6-16-34-22/h4-5,7,9-11,20,22H,3,6,8,12-18H2,1-2H3,(H,28,32)(H,29,35)