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

Systemtic Name: N-(cyanomethyl)-2-[4-(3-ethyl-4-piperazin-1-yl-phenyl)phenyl]sulfanyl-4-methyl-pentanamide Openeye Name: N-(cyanomethyl)-2-[4-(3-ethyl-4-piperazin-1-yl-phenyl)phenyl]sulfanyl-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-2-[[4-[3-ethyl-4-(1-piperazinyl)phenyl]phenyl]thio]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-2-[4-(3-ethyl-4-piperazin-1-ylphenyl)phenyl]sulfanyl-4-methylpentanamide Traditional Name: N-(cyanomethyl)-2-[[4-(3-ethyl-4-piperazino-phenyl)phenyl]thio]-4-methyl-valeramide Formula: C26H34N4OS MolecularWeight: 450.63936

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C2=CC=C(C=C2)SC(CC(C)C)C(=O)NCC#N)N3CCNCC3

Isomeric SMILES

CCC1=C(C=CC(=C1)C2=CC=C(C=C2)SC(CC(C)C)C(=O)NCC#N)N3CCNCC3

InChI

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