N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methyl-2-[1-[4-oxidanylidene-4-(pyridin-3-ylamino)butanoyl]piperidin-4-yl]pyridine-3-carboxamide

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methyl-2-[1-[4-oxidanylidene-4-(pyridin-3-ylamino)butanoyl]piperidin-4-yl]pyridine-3-carboxamide Openeye Name: N-[2-(2-furylmethylsulfanyl)ethyl]-6-methyl-2-[1-[4-oxo-4-(3-pyridylamino)butanoyl]-4-piperidyl]pyridine-3-carboxamide CAS Name: 2-[1-[1,4-dioxo-4-(3-pyridinylamino)butyl]-4-piperidinyl]-N-[2-(2-furanylmethylthio)ethyl]-6-methyl-3-pyridinecarboxamide IUPAC Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methyl-2-[1-[4-oxo-4-(pyridin-3-ylamino)butanoyl]piperidin-4-yl]pyridine-3-carboxamide Traditional Name: N-[2-(2-furfurylthio)ethyl]-2-[1-[4-keto-4-(3-pyridylamino)butanoyl]-4-piperidyl]-6-methyl-nicotinamide Formula: C28H33N5O4S MolecularWeight: 535.65772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NCCSCC2=CC=CO2)C3CCN(CC3)C(=O)CCC(=O)NC4=CN=CC=C4

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NCCSCC2=CC=CO2)C3CCN(CC3)C(=O)CCC(=O)NC4=CN=CC=C4

InChI

InChI=1S/C28H33N5O4S/c1-20-6-7-24(28(36)30-13-17-38-19-23-5-3-16-37-23)27(31-20)21-10-14-33(15-11-21)26(35)9-8-25(34)32-22-4-2-12-29-18-22/h2-7,12,16,18,21H,8-11,13-15,17,19H2,1H3,(H,30,36)(H,32,34)