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

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[4-[2-(4-methylpiperazin-1-yl)carbonyl-1H-indol-5-yl]phenyl]sulfanyl-pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[4-[2-(4-methylpiperazine-1-carbonyl)-1H-indol-5-yl]phenyl]sulfanyl-pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[4-[2-[(4-methyl-1-piperazinyl)-oxomethyl]-1H-indol-5-yl]phenyl]thio]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[4-[2-(4-methylpiperazine-1-carbonyl)-1H-indol-5-yl]phenyl]sulfanylpentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[4-[2-(4-methylpiperazine-1-carbonyl)-1H-indol-5-yl]phenyl]thio]valeramide Formula: C28H33N5O2S MolecularWeight: 503.65892

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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)N4CCN(CC4)C

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)SC1=CC=C(C=C1)C2=CC3=C(C=C2)NC(=C3)C(=O)N4CCN(CC4)C

InChI

InChI=1S/C28H33N5O2S/c1-19(2)16-26(27(34)30-11-10-29)36-23-7-4-20(5-8-23)21-6-9-24-22(17-21)18-25(31-24)28(35)33-14-12-32(3)13-15-33/h4-9,17-19,26,31H,11-16H2,1-3H3,(H,30,34)