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

Systemtic Name: N-(cyanomethyl)-2-[4-(3-fluoranyl-4-piperazin-1-yl-phenyl)phenyl]sulfanyl-4-methyl-pentanamide Openeye Name: N-(cyanomethyl)-2-[4-(3-fluoro-4-piperazin-1-yl-phenyl)phenyl]sulfanyl-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-2-[[4-[3-fluoro-4-(1-piperazinyl)phenyl]phenyl]thio]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-2-[4-(3-fluoro-4-piperazin-1-ylphenyl)phenyl]sulfanyl-4-methylpentanamide Traditional Name: N-(cyanomethyl)-2-[[4-(3-fluoro-4-piperazino-phenyl)phenyl]thio]-4-methyl-valeramide Formula: C24H29FN4OS MolecularWeight: 440.576663

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C24H29FN4OS/c1-17(2)15-23(24(30)28-10-9-26)31-20-6-3-18(4-7-20)19-5-8-22(21(25)16-19)29-13-11-27-12-14-29/h3-8,16-17,23,27H,10-15H2,1-2H3,(H,28,30)