N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[1-[(4-methoxyphenyl)carbamothioyl]piperidin-4-yl]-6-methyl-pyridine-3-carboxamide

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[1-[(4-methoxyphenyl)carbamothioyl]piperidin-4-yl]-6-methyl-pyridine-3-carboxamide Openeye Name: N-[2-(2-furylmethylsulfanyl)ethyl]-2-[1-[(4-methoxyphenyl)carbamothioyl]-4-piperidyl]-6-methyl-pyridine-3-carboxamide CAS Name: N-[2-(2-furanylmethylthio)ethyl]-2-[1-[(4-methoxyanilino)-sulfanylidenemethyl]-4-piperidinyl]-6-methyl-3-pyridinecarboxamide IUPAC Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[1-[(4-methoxyphenyl)carbamothioyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide Traditional Name: N-[2-(2-furfurylthio)ethyl]-2-[1-[(4-methoxyphenyl)thiocarbamoyl]-4-piperidyl]-6-methyl-nicotinamide Formula: C27H32N4O3S2 MolecularWeight: 524.69798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NCCSCC2=CC=CO2)C3CCN(CC3)C(=S)NC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NCCSCC2=CC=CO2)C3CCN(CC3)C(=S)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H32N4O3S2/c1-19-5-10-24(26(32)28-13-17-36-18-23-4-3-16-34-23)25(29-19)20-11-14-31(15-12-20)27(35)30-21-6-8-22(33-2)9-7-21/h3-10,16,20H,11-15,17-18H2,1-2H3,(H,28,32)(H,30,35)