N-(cyanomethyl)-2-[4-[4-(2,6-dimethylpiperazin-1-yl)phenyl]phenyl]sulfanyl-4-methyl-pentanamide

Systemtic Name: N-(cyanomethyl)-2-[4-[4-(2,6-dimethylpiperazin-1-yl)phenyl]phenyl]sulfanyl-4-methyl-pentanamide Openeye Name: N-(cyanomethyl)-2-[4-[4-(2,6-dimethylpiperazin-1-yl)phenyl]phenyl]sulfanyl-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-2-[[4-[4-(2,6-dimethyl-1-piperazinyl)phenyl]phenyl]thio]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-2-[4-[4-(2,6-dimethylpiperazin-1-yl)phenyl]phenyl]sulfanyl-4-methylpentanamide Traditional Name: N-(cyanomethyl)-2-[[4-[4-(2,6-dimethylpiperazino)phenyl]phenyl]thio]-4-methyl-valeramide Formula: C26H34N4OS MolecularWeight: 450.63936

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCC(N1C2=CC=C(C=C2)C3=CC=C(C=C3)SC(CC(C)C)C(=O)NCC#N)C

Isomeric SMILES

CC1CNCC(N1C2=CC=C(C=C2)C3=CC=C(C=C3)SC(CC(C)C)C(=O)NCC#N)C

InChI

InChI=1S/C26H34N4OS/c1-18(2)15-25(26(31)29-14-13-27)32-24-11-7-22(8-12-24)21-5-9-23(10-6-21)30-19(3)16-28-17-20(30)4/h5-12,18-20,25,28H,14-17H2,1-4H3,(H,29,31)