N-(cyanomethyl)-4-methyl-2-[[4-(4-piperazin-1-ylphenyl)phenyl]methylsulfanyl]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[[4-(4-piperazin-1-ylphenyl)phenyl]methylsulfanyl]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[[4-(4-piperazin-1-ylphenyl)phenyl]methylsulfanyl]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[4-[4-(1-piperazinyl)phenyl]phenyl]methylthio]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[[4-(4-piperazin-1-ylphenyl)phenyl]methylsulfanyl]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[4-(4-piperazinophenyl)benzyl]thio]valeramide Formula: C25H32N4OS MolecularWeight: 436.61278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)SCC1=CC=C(C=C1)C2=CC=C(C=C2)N3CCNCC3

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)SCC1=CC=C(C=C1)C2=CC=C(C=C2)N3CCNCC3

InChI

InChI=1S/C25H32N4OS/c1-19(2)17-24(25(30)28-12-11-26)31-18-20-3-5-21(6-4-20)22-7-9-23(10-8-22)29-15-13-27-14-16-29/h3-10,19,24,27H,12-18H2,1-2H3,(H,28,30)