(4S)-5-cyano-2-methyl-6-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N,4-diphenyl-3,4-dihydropyridine-3-carboxamide

Systemtic Name: (4S)-5-cyano-2-methyl-6-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N,4-diphenyl-3,4-dihydropyridine-3-carboxamide Openeye Name: (4S)-5-cyano-2-methyl-6-[2-oxo-2-(thiazol-2-ylamino)ethyl]sulfanyl-N,4-diphenyl-3,4-dihydropyridine-3-carboxamide CAS Name: (4S)-5-cyano-2-methyl-6-[[2-oxo-2-(2-thiazolylamino)ethyl]thio]-N,4-diphenyl-3,4-dihydropyridine-3-carboxamide IUPAC Name: (4S)-5-cyano-2-methyl-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N,4-diphenyl-3,4-dihydropyridine-3-carboxamide Traditional Name: (4S)-5-cyano-6-[[2-keto-2-(thiazol-2-ylamino)ethyl]thio]-2-methyl-N,4-diphenyl-3,4-dihydropyridine-3-carboxamide Formula: C25H21N5O2S2 MolecularWeight: 487.59654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)NC2=CC=CC=C2)C3=CC=CC=C3)C#N)SCC(=O)NC4=NC=CS4

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)NC2=CC=CC=C2)C3=CC=CC=C3)C#N)SCC(=O)NC4=NC=CS4

InChI

InChI=1S/C25H21N5O2S2/c1-16-21(23(32)29-18-10-6-3-7-11-18)22(17-8-4-2-5-9-17)19(14-26)24(28-16)34-15-20(31)30-25-27-12-13-33-25/h2-13,21-22H,15H2,1H3,(H,29,32)(H,27,30,31)/t21?,22-/m0/s1