N-(cyanomethyl)-4-methyl-2-[4-(2-piperazin-1-ylcarbonyl-1H-indol-5-yl)phenyl]sulfanyl-pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[4-(2-piperazin-1-ylcarbonyl-1H-indol-5-yl)phenyl]sulfanyl-pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[4-[2-(piperazine-1-carbonyl)-1H-indol-5-yl]phenyl]sulfanyl-pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[4-[2-[oxo(1-piperazinyl)methyl]-1H-indol-5-yl]phenyl]thio]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[4-[2-(piperazine-1-carbonyl)-1H-indol-5-yl]phenyl]sulfanylpentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[4-[2-(piperazine-1-carbonyl)-1H-indol-5-yl]phenyl]thio]valeramide Formula: C27H31N5O2S MolecularWeight: 489.63234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)SC1=CC=C(C=C1)C2=CC3=C(C=C2)NC(=C3)C(=O)N4CCNCC4

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)SC1=CC=C(C=C1)C2=CC3=C(C=C2)NC(=C3)C(=O)N4CCNCC4

InChI

InChI=1S/C27H31N5O2S/c1-18(2)15-25(26(33)30-10-9-28)35-22-6-3-19(4-7-22)20-5-8-23-21(16-20)17-24(31-23)27(34)32-13-11-29-12-14-32/h3-8,16-18,25,29,31H,10-15H2,1-2H3,(H,30,33)