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

Systemtic Name: N-[(2-ethoxyphenyl)methyl]-2-[1-[(2-fluorophenyl)methylcarbamothioyl]piperidin-4-yl]-6-methyl-pyridine-3-carboxamide Openeye Name: N-[(2-ethoxyphenyl)methyl]-2-[1-[(2-fluorophenyl)methylcarbamothioyl]-4-piperidyl]-6-methyl-pyridine-3-carboxamide CAS Name: N-[(2-ethoxyphenyl)methyl]-2-[1-[[(2-fluorophenyl)methylamino]-sulfanylidenemethyl]-4-piperidinyl]-6-methyl-3-pyridinecarboxamide IUPAC Name: N-[(2-ethoxyphenyl)methyl]-2-[1-[(2-fluorophenyl)methylcarbamothioyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide Traditional Name: N-(2-ethoxybenzyl)-2-[1-[(2-fluorobenzyl)thiocarbamoyl]-4-piperidyl]-6-methyl-nicotinamide Formula: C29H33FN4O2S MolecularWeight: 520.661323

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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)NCC4=CC=CC=C4F

Isomeric SMILES

CCOC1=CC=CC=C1CNC(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=S)NCC4=CC=CC=C4F

InChI

InChI=1S/C29H33FN4O2S/c1-3-36-26-11-7-5-9-23(26)19-31-28(35)24-13-12-20(2)33-27(24)21-14-16-34(17-15-21)29(37)32-18-22-8-4-6-10-25(22)30/h4-13,21H,3,14-19H2,1-2H3,(H,31,35)(H,32,37)