N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methyl-2-[1-[(3-oxidanylidene-4H-quinoxalin-2-yl)carbonyl]piperidin-4-yl]pyridine-3-carboxamide

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methyl-2-[1-[(3-oxidanylidene-4H-quinoxalin-2-yl)carbonyl]piperidin-4-yl]pyridine-3-carboxamide Openeye Name: N-[2-(2-furylmethylsulfanyl)ethyl]-6-methyl-2-[1-(3-oxo-4H-quinoxaline-2-carbonyl)-4-piperidyl]pyridine-3-carboxamide CAS Name: N-[2-(2-furanylmethylthio)ethyl]-6-methyl-2-[1-[oxo-(3-oxo-4H-quinoxalin-2-yl)methyl]-4-piperidinyl]-3-pyridinecarboxamide IUPAC Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methyl-2-[1-(3-oxo-4H-quinoxaline-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide Traditional Name: N-[2-(2-furfurylthio)ethyl]-2-[1-(3-keto-4H-quinoxaline-2-carbonyl)-4-piperidyl]-6-methyl-nicotinamide Formula: C28H29N5O4S MolecularWeight: 531.62596

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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=NC5=CC=CC=C5NC4=O

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NCCSCC2=CC=CO2)C3CCN(CC3)C(=O)C4=NC5=CC=CC=C5NC4=O

InChI

InChI=1S/C28H29N5O4S/c1-18-8-9-21(26(34)29-12-16-38-17-20-5-4-15-37-20)24(30-18)19-10-13-33(14-11-19)28(36)25-27(35)32-23-7-3-2-6-22(23)31-25/h2-9,15,19H,10-14,16-17H2,1H3,(H,29,34)(H,32,35)