N-(cyanomethyl)-4-methyl-2-[3-(4-piperazin-1-ylphenyl)phenyl]sulfanyl-pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[3-(4-piperazin-1-ylphenyl)phenyl]sulfanyl-pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[3-(4-piperazin-1-ylphenyl)phenyl]sulfanyl-pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[3-[4-(1-piperazinyl)phenyl]phenyl]thio]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[3-(4-piperazin-1-ylphenyl)phenyl]sulfanylpentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[3-(4-piperazinophenyl)phenyl]thio]valeramide Formula: C24H30N4OS MolecularWeight: 422.5862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)SC1=CC=CC(=C1)C2=CC=C(C=C2)N3CCNCC3

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)SC1=CC=CC(=C1)C2=CC=C(C=C2)N3CCNCC3

InChI

InChI=1S/C24H30N4OS/c1-18(2)16-23(24(29)27-11-10-25)30-22-5-3-4-20(17-22)19-6-8-21(9-7-19)28-14-12-26-13-15-28/h3-9,17-18,23,26H,11-16H2,1-2H3,(H,27,29)