N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[1-(4-imidazol-1-ylphenyl)carbonylpiperidin-4-yl]-6-methyl-pyridine-3-carboxamide

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[1-(4-imidazol-1-ylphenyl)carbonylpiperidin-4-yl]-6-methyl-pyridine-3-carboxamide Openeye Name: N-[2-(2-furylmethylsulfanyl)ethyl]-2-[1-(4-imidazol-1-ylbenzoyl)-4-piperidyl]-6-methyl-pyridine-3-carboxamide CAS Name: N-[2-(2-furanylmethylthio)ethyl]-2-[1-[[4-(1-imidazolyl)phenyl]-oxomethyl]-4-piperidinyl]-6-methyl-3-pyridinecarboxamide IUPAC Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide Traditional Name: N-[2-(2-furfurylthio)ethyl]-2-[1-(4-imidazol-1-ylbenzoyl)-4-piperidyl]-6-methyl-nicotinamide Formula: C29H31N5O3S MolecularWeight: 529.65314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NCCSCC2=CC=CO2)C3CCN(CC3)C(=O)C4=CC=C(C=C4)N5C=CN=C5

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NCCSCC2=CC=CO2)C3CCN(CC3)C(=O)C4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C29H31N5O3S/c1-21-4-9-26(28(35)31-13-18-38-19-25-3-2-17-37-25)27(32-21)22-10-14-33(15-11-22)29(36)23-5-7-24(8-6-23)34-16-12-30-20-34/h2-9,12,16-17,20,22H,10-11,13-15,18-19H2,1H3,(H,31,35)