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

Systemtic Name: 2-[1-[2-(cyclohexen-1-yl)ethylcarbamothioyl]piperidin-4-yl]-N-(4-imidazol-1-ylphenyl)-6-methyl-pyridine-3-carboxamide Openeye Name: 2-[1-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-4-piperidyl]-N-(4-imidazol-1-ylphenyl)-6-methyl-pyridine-3-carboxamide CAS Name: 2-[1-[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]-4-piperidinyl]-N-[4-(1-imidazolyl)phenyl]-6-methyl-3-pyridinecarboxamide IUPAC Name: 2-[1-[2-(cyclohexen-1-yl)ethylcarbamothioyl]piperidin-4-yl]-N-(4-imidazol-1-ylphenyl)-6-methylpyridine-3-carboxamide Traditional Name: 2-[1-[2-(cyclohexen-1-yl)ethylthiocarbamoyl]-4-piperidyl]-N-(4-imidazol-1-ylphenyl)-6-methyl-nicotinamide Formula: C30H36N6OS MolecularWeight: 528.71144

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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)NCCC5=CCCCC5

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C=CN=C3)C4CCN(CC4)C(=S)NCCC5=CCCCC5

InChI

InChI=1S/C30H36N6OS/c1-22-7-12-27(29(37)34-25-8-10-26(11-9-25)36-20-17-31-21-36)28(33-22)24-14-18-35(19-15-24)30(38)32-16-13-23-5-3-2-4-6-23/h5,7-12,17,20-21,24H,2-4,6,13-16,18-19H2,1H3,(H,32,38)(H,34,37)