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

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[4-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]phenyl]sulfanyl-pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[4-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]phenyl]sulfanyl-pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[4-[4-(1-piperazinyl)-2-(trifluoromethyl)phenyl]phenyl]thio]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[4-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]phenyl]sulfanylpentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[4-[4-piperazino-2-(trifluoromethyl)phenyl]phenyl]thio]valeramide Formula: C25H29F3N4OS MolecularWeight: 490.58417

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29F3N4OS/c1-17(2)15-23(24(33)31-10-9-29)34-20-6-3-18(4-7-20)21-8-5-19(16-22(21)25(26,27)28)32-13-11-30-12-14-32/h3-8,16-17,23,30H,10-15H2,1-2H3,(H,31,33)