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

Systemtic Name: 6-methyl-2-[1-(oxolan-2-ylmethylcarbamothioyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide Openeye Name: 6-methyl-N-(3-pyridylmethyl)-2-[1-(tetrahydrofuran-2-ylmethylcarbamothioyl)-4-piperidyl]pyridine-3-carboxamide CAS Name: 6-methyl-2-[1-[(2-oxolanylmethylamino)-sulfanylidenemethyl]-4-piperidinyl]-N-(3-pyridinylmethyl)-3-pyridinecarboxamide IUPAC Name: 6-methyl-2-[1-(oxolan-2-ylmethylcarbamothioyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide Traditional Name: 6-methyl-N-(3-pyridylmethyl)-2-[1-(tetrahydrofurfurylthiocarbamoyl)-4-piperidyl]nicotinamide Formula: C24H31N5O2S MolecularWeight: 453.60024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NCC2=CN=CC=C2)C3CCN(CC3)C(=S)NCC4CCCO4

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NCC2=CN=CC=C2)C3CCN(CC3)C(=S)NCC4CCCO4

InChI

InChI=1S/C24H31N5O2S/c1-17-6-7-21(23(30)26-15-18-4-2-10-25-14-18)22(28-17)19-8-11-29(12-9-19)24(32)27-16-20-5-3-13-31-20/h2,4,6-7,10,14,19-20H,3,5,8-9,11-13,15-16H2,1H3,(H,26,30)(H,27,32)