5-cyano-6-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-N-phenyl-pyridine-3-carboxamide

Systemtic Name: 5-cyano-6-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-N-phenyl-pyridine-3-carboxamide Openeye Name: 5-cyano-6-[2-(cycloheptylamino)-2-oxo-ethyl]sulfanyl-2-methyl-N-phenyl-pyridine-3-carboxamide CAS Name: 5-cyano-6-[[2-(cycloheptylamino)-2-oxoethyl]thio]-2-methyl-N-phenyl-3-pyridinecarboxamide IUPAC Name: 5-cyano-6-[2-(cycloheptylamino)-2-oxoethyl]sulfanyl-2-methyl-N-phenylpyridine-3-carboxamide Traditional Name: 5-cyano-6-[[2-(cycloheptylamino)-2-keto-ethyl]thio]-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)SCC(=O)NC2CCCCCC2)C#N)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)NC2CCCCCC2)C#N)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H26N4O2S/c1-16-20(22(29)27-19-11-7-4-8-12-19)13-17(14-24)23(25-16)30-15-21(28)26-18-9-5-2-3-6-10-18/h4,7-8,11-13,18H,2-3,5-6,9-10,15H2,1H3,(H,26,28)(H,27,29)