4,5,6-trimethyl-2-[2-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxamide

Systemtic Name: 4,5,6-trimethyl-2-[2-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxamide Openeye Name: 4,5,6-trimethyl-2-[2-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxo-ethyl]sulfanyl-pyridine-3-carboxamide CAS Name: 4,5,6-trimethyl-2-[[2-[(2S)-2-(1-methyl-2-pyrrolyl)-1-azepanyl]-2-oxoethyl]thio]-3-pyridinecarboxamide IUPAC Name: 4,5,6-trimethyl-2-[2-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxoethyl]sulfanylpyridine-3-carboxamide Traditional Name: 2-[[2-keto-2-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]ethyl]thio]-4,5,6-trimethyl-nicotinamide Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)N2CCCCCC2C3=CC=CN3C)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)N2CCCCC[C@H]2C3=CC=CN3C)C

InChI

InChI=1S/C22H30N4O2S/c1-14-15(2)20(21(23)28)22(24-16(14)3)29-13-19(27)26-12-7-5-6-9-18(26)17-10-8-11-25(17)4/h8,10-11,18H,5-7,9,12-13H2,1-4H3,(H2,23,28)/t18-/m0/s1