6-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-pyridine-3-carboxamide

Systemtic Name: 6-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-pyridine-3-carboxamide Openeye Name: 6-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-5-cyano-4-(2-furyl)-N-(2-methoxyphenyl)-2-methyl-pyridine-3-carboxamide CAS Name: 6-[[2-(1-azepanyl)-2-oxoethyl]thio]-5-cyano-4-(2-furanyl)-N-(2-methoxyphenyl)-2-methyl-3-pyridinecarboxamide IUPAC Name: 6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methylpyridine-3-carboxamide Traditional Name: 6-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-5-cyano-4-(2-furyl)-N-(2-methoxyphenyl)-2-methyl-nicotinamide Formula: C27H28N4O4S MolecularWeight: 504.60062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)SCC(=O)N2CCCCCC2)C#N)C3=CC=CO3)C(=O)NC4=CC=CC=C4OC

Isomeric SMILES

CC1=C(C(=C(C(=N1)SCC(=O)N2CCCCCC2)C#N)C3=CC=CO3)C(=O)NC4=CC=CC=C4OC

InChI

InChI=1S/C27H28N4O4S/c1-18-24(26(33)30-20-10-5-6-11-21(20)34-2)25(22-12-9-15-35-22)19(16-28)27(29-18)36-17-23(32)31-13-7-3-4-8-14-31/h5-6,9-12,15H,3-4,7-8,13-14,17H2,1-2H3,(H,30,33)