N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-[2-(2-propan-2-ylsulfanylethanoylamino)ethanoyl]piperidin-4-yl]pyridine-3-carboxamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-[2-(2-propan-2-ylsulfanylethanoylamino)ethanoyl]piperidin-4-yl]pyridine-3-carboxamide Openeye Name: N-(3-imidazol-1-ylpropyl)-2-[1-[2-[(2-isopropylsulfanylacetyl)amino]acetyl]-4-piperidyl]-6-methyl-pyridine-3-carboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-6-methyl-2-[1-[1-oxo-2-[[1-oxo-2-(propan-2-ylthio)ethyl]amino]ethyl]-4-piperidinyl]-3-pyridinecarboxamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-[2-[(2-propan-2-ylsulfanylacetyl)amino]acetyl]piperidin-4-yl]pyridine-3-carboxamide Traditional Name: N-(3-imidazol-1-ylpropyl)-2-[1-[2-[[2-(isopropylthio)acetyl]amino]acetyl]-4-piperidyl]-6-methyl-nicotinamide Formula: C25H36N6O3S MolecularWeight: 500.65674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NCCCN2C=CN=C2)C3CCN(CC3)C(=O)CNC(=O)CSC(C)C

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NCCCN2C=CN=C2)C3CCN(CC3)C(=O)CNC(=O)CSC(C)C

InChI

InChI=1S/C25H36N6O3S/c1-18(2)35-16-22(32)28-15-23(33)31-12-7-20(8-13-31)24-21(6-5-19(3)29-24)25(34)27-9-4-11-30-14-10-26-17-30/h5-6,10,14,17-18,20H,4,7-9,11-13,15-16H2,1-3H3,(H,27,34)(H,28,32)