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

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[4-(4-piperazin-1-ylphenyl)phenyl]sulfanyl-pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[4-(4-piperazin-1-ylphenyl)phenyl]sulfanyl-pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[4-[4-(1-piperazinyl)phenyl]phenyl]thio]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[4-(4-piperazin-1-ylphenyl)phenyl]sulfanylpentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[4-(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=C(C=C1)C2=CC=C(C=C2)N3CCNCC3

Isomeric SMILES

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

InChI

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