N-(cyanomethyl)-4-methyl-2-[4-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]phenyl]sulfanyl-pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[4-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]phenyl]sulfanyl-pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[4-[4-[[(1-methyl-4-piperidyl)amino]methyl]phenyl]phenyl]sulfanyl-pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[4-[4-[[(1-methyl-4-piperidinyl)amino]methyl]phenyl]phenyl]thio]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[4-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]phenyl]sulfanylpentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[4-[4-[[(1-methyl-4-piperidyl)amino]methyl]phenyl]phenyl]thio]valeramide Formula: C27H36N4OS MolecularWeight: 464.66594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)SC1=CC=C(C=C1)C2=CC=C(C=C2)CNC3CCN(CC3)C

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)SC1=CC=C(C=C1)C2=CC=C(C=C2)CNC3CCN(CC3)C

InChI

InChI=1S/C27H36N4OS/c1-20(2)18-26(27(32)29-15-14-28)33-25-10-8-23(9-11-25)22-6-4-21(5-7-22)19-30-24-12-16-31(3)17-13-24/h4-11,20,24,26,30H,12-13,15-19H2,1-3H3,(H,29,32)