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

Systemtic Name: N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(2-morpholin-4-ylethylcarbamothioyl)piperidin-4-yl]pyridine-3-carboxamide Openeye Name: N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(2-morpholinoethylcarbamothioyl)-4-piperidyl]pyridine-3-carboxamide CAS Name: N-[4-(1-imidazolyl)phenyl]-6-methyl-2-[1-[[2-(4-morpholinyl)ethylamino]-sulfanylidenemethyl]-4-piperidinyl]-3-pyridinecarboxamide IUPAC Name: N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(2-morpholin-4-ylethylcarbamothioyl)piperidin-4-yl]pyridine-3-carboxamide Traditional Name: N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(2-morpholinoethylthiocarbamoyl)-4-piperidyl]nicotinamide Formula: C28H35N7O2S MolecularWeight: 533.6882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C=CN=C3)C4CCN(CC4)C(=S)NCCN5CCOCC5

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C=CN=C3)C4CCN(CC4)C(=S)NCCN5CCOCC5

InChI

InChI=1S/C28H35N7O2S/c1-21-2-7-25(27(36)32-23-3-5-24(6-4-23)35-15-10-29-20-35)26(31-21)22-8-12-34(13-9-22)28(38)30-11-14-33-16-18-37-19-17-33/h2-7,10,15,20,22H,8-9,11-14,16-19H2,1H3,(H,30,38)(H,32,36)