6-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-5-cyano-2-methyl-N-phenyl-pyridine-3-carboxamide

Systemtic Name: 6-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-5-cyano-2-methyl-N-phenyl-pyridine-3-carboxamide Openeye Name: 6-[2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-N-phenyl-pyridine-3-carboxamide CAS Name: 6-[[1-(1-azepanyl)-1-oxopropan-2-yl]thio]-5-cyano-2-methyl-N-phenyl-3-pyridinecarboxamide IUPAC Name: 6-[1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanyl-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide Traditional Name: 6-[[2-(azepan-1-yl)-2-keto-1-methyl-ethyl]thio]-5-cyano-2-methyl-N-phenyl-nicotinamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SC(C)C(=O)N2CCCCCC2)C#N)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C(=N1)SC(C)C(=O)N2CCCCCC2)C#N)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H26N4O2S/c1-16-20(21(28)26-19-10-6-5-7-11-19)14-18(15-24)22(25-16)30-17(2)23(29)27-12-8-3-4-9-13-27/h5-7,10-11,14,17H,3-4,8-9,12-13H2,1-2H3,(H,26,28)