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

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[(4-piperazin-1-ylphenyl)methylsulfanyl]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[(4-piperazin-1-ylphenyl)methylsulfanyl]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[4-(1-piperazinyl)phenyl]methylthio]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[(4-piperazin-1-ylphenyl)methylsulfanyl]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[(4-piperazinobenzyl)thio]valeramide Formula: C19H28N4OS MolecularWeight: 360.51682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)SCC1=CC=C(C=C1)N2CCNCC2

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)SCC1=CC=C(C=C1)N2CCNCC2

InChI

InChI=1S/C19H28N4OS/c1-15(2)13-18(19(24)22-8-7-20)25-14-16-3-5-17(6-4-16)23-11-9-21-10-12-23/h3-6,15,18,21H,8-14H2,1-2H3,(H,22,24)