N-(cyanomethyl)-2-[4-[4-(4-ethylpiperazin-1-yl)phenyl]phenyl]sulfanyl-4-methyl-pentanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)SC(CC(C)C)C(=O)NCC#N

Isomeric SMILES

CCN1CCN(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)SC(CC(C)C)C(=O)NCC#N

InChI

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