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

Systemtic Name: N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-(2-morpholin-4-ylethylcarbamothioyl)piperidin-4-yl]pyridine-3-carboxamide Openeye Name: N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-(2-morpholinoethylcarbamothioyl)-4-piperidyl]pyridine-3-carboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-6-methyl-2-[1-[[2-(4-morpholinyl)ethylamino]-sulfanylidenemethyl]-4-piperidinyl]-3-pyridinecarboxamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-(2-morpholin-4-ylethylcarbamothioyl)piperidin-4-yl]pyridine-3-carboxamide Traditional Name: N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-(2-morpholinoethylthiocarbamoyl)-4-piperidyl]nicotinamide Formula: C25H37N7O2S MolecularWeight: 499.67198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NCCCN2C=CN=C2)C3CCN(CC3)C(=S)NCCN4CCOCC4

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NCCCN2C=CN=C2)C3CCN(CC3)C(=S)NCCN4CCOCC4

InChI

InChI=1S/C25H37N7O2S/c1-20-3-4-22(24(33)27-7-2-10-31-13-8-26-19-31)23(29-20)21-5-11-32(12-6-21)25(35)28-9-14-30-15-17-34-18-16-30/h3-4,8,13,19,21H,2,5-7,9-12,14-18H2,1H3,(H,27,33)(H,28,35)