N-[2-(2-cyanoethylsulfanyl)phenyl]-2-(1-cyclohexylcarbonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide

Systemtic Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-2-(1-cyclohexylcarbonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide Openeye Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-2-[1-(cyclohexanecarbonyl)-4-piperidyl]thiazole-4-carboxamide CAS Name: N-[2-(2-cyanoethylthio)phenyl]-2-[1-[cyclohexyl(oxo)methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-[2-(2-cyanoethylthio)phenyl]-2-[1-(cyclohexanecarbonyl)-4-piperidyl]thiazole-4-carboxamide Formula: C25H30N4O2S2 MolecularWeight: 482.6613

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NC4=CC=CC=C4SCCC#N

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NC4=CC=CC=C4SCCC#N

InChI

InChI=1S/C25H30N4O2S2/c26-13-6-16-32-22-10-5-4-9-20(22)27-23(30)21-17-33-24(28-21)18-11-14-29(15-12-18)25(31)19-7-2-1-3-8-19/h4-5,9-10,17-19H,1-3,6-8,11-12,14-16H2,(H,27,30)