N-(cyanomethyl)-4-methyl-2-[4-(4-piperidin-1-ylphenyl)phenyl]sulfanyl-pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[4-(4-piperidin-1-ylphenyl)phenyl]sulfanyl-pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[4-[4-(1-piperidyl)phenyl]phenyl]sulfanyl-pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[4-[4-(1-piperidinyl)phenyl]phenyl]thio]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[4-(4-piperidin-1-ylphenyl)phenyl]sulfanylpentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[4-(4-piperidinophenyl)phenyl]thio]valeramide Formula: C25H31N3OS MolecularWeight: 421.59814

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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)N3CCCCC3

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)SC1=CC=C(C=C1)C2=CC=C(C=C2)N3CCCCC3

InChI

InChI=1S/C25H31N3OS/c1-19(2)18-24(25(29)27-15-14-26)30-23-12-8-21(9-13-23)20-6-10-22(11-7-20)28-16-4-3-5-17-28/h6-13,19,24H,3-5,15-18H2,1-2H3,(H,27,29)