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

Systemtic Name: N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-(2-morpholin-4-ylethylcarbamothioyl)piperidin-4-yl]pyridine-3-carboxamide Openeye Name: N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-(2-morpholinoethylcarbamothioyl)-4-piperidyl]pyridine-3-carboxamide CAS Name: N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-[[2-(4-morpholinyl)ethylamino]-sulfanylidenemethyl]-4-piperidinyl]-3-pyridinecarboxamide IUPAC Name: N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-(2-morpholin-4-ylethylcarbamothioyl)piperidin-4-yl]pyridine-3-carboxamide Traditional Name: N-(2-ethoxybenzyl)-6-methyl-2-[1-(2-morpholinoethylthiocarbamoyl)-4-piperidyl]nicotinamide Formula: C28H39N5O3S MolecularWeight: 525.70596

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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)NCCN4CCOCC4

Isomeric SMILES

CCOC1=CC=CC=C1CNC(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=S)NCCN4CCOCC4

InChI

InChI=1S/C28H39N5O3S/c1-3-36-25-7-5-4-6-23(25)20-30-27(34)24-9-8-21(2)31-26(24)22-10-13-33(14-11-22)28(37)29-12-15-32-16-18-35-19-17-32/h4-9,22H,3,10-20H2,1-2H3,(H,29,37)(H,30,34)