N-(cyanomethyl)-2-[4-[4-(4-methoxypiperidin-4-yl)phenyl]phenyl]sulfanyl-4-methyl-pentanamide

Systemtic Name: N-(cyanomethyl)-2-[4-[4-(4-methoxypiperidin-4-yl)phenyl]phenyl]sulfanyl-4-methyl-pentanamide Openeye Name: N-(cyanomethyl)-2-[4-[4-(4-methoxy-4-piperidyl)phenyl]phenyl]sulfanyl-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-2-[[4-[4-(4-methoxy-4-piperidinyl)phenyl]phenyl]thio]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-2-[4-[4-(4-methoxypiperidin-4-yl)phenyl]phenyl]sulfanyl-4-methylpentanamide Traditional Name: N-(cyanomethyl)-2-[[4-[4-(4-methoxy-4-piperidyl)phenyl]phenyl]thio]-4-methyl-valeramide Formula: C26H33N3O2S MolecularWeight: 451.62412

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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)C3(CCNCC3)OC

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)SC1=CC=C(C=C1)C2=CC=C(C=C2)C3(CCNCC3)OC

InChI

InChI=1S/C26H33N3O2S/c1-19(2)18-24(25(30)29-17-14-27)32-23-10-6-21(7-11-23)20-4-8-22(9-5-20)26(31-3)12-15-28-16-13-26/h4-11,19,24,28H,12-13,15-18H2,1-3H3,(H,29,30)