5-cyano-6-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(2-fluorophenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide

Systemtic Name: 5-cyano-6-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(2-fluorophenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide Openeye Name: 5-cyano-6-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-4-(2-fluorophenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide CAS Name: 5-cyano-6-[[2-(cyclohexylamino)-2-oxoethyl]thio]-4-(2-fluorophenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide IUPAC Name: 5-cyano-6-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-(2-fluorophenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide Traditional Name: 5-cyano-6-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-4-(2-fluorophenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide Formula: C28H29FN4O2S MolecularWeight: 504.618863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)NC2CCCCC2)C#N)C3=CC=CC=C3F)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)NC2CCCCC2)C#N)C3=CC=CC=C3F)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C28H29FN4O2S/c1-18-25(27(35)33-20-12-6-3-7-13-20)26(21-14-8-9-15-23(21)29)22(16-30)28(31-18)36-17-24(34)32-19-10-4-2-5-11-19/h3,6-9,12-15,19,26,31H,2,4-5,10-11,17H2,1H3,(H,32,34)(H,33,35)