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

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[4-[2-(4-propylpiperazin-1-yl)carbonyl-1H-indol-5-yl]phenyl]sulfanyl-pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[4-[2-(4-propylpiperazine-1-carbonyl)-1H-indol-5-yl]phenyl]sulfanyl-pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[4-[2-[oxo-(4-propyl-1-piperazinyl)methyl]-1H-indol-5-yl]phenyl]thio]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[4-[2-(4-propylpiperazine-1-carbonyl)-1H-indol-5-yl]phenyl]sulfanylpentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[4-[2-(4-propylpiperazine-1-carbonyl)-1H-indol-5-yl]phenyl]thio]valeramide Formula: C30H37N5O2S MolecularWeight: 531.71208

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)C4=CC=C(C=C4)SC(CC(C)C)C(=O)NCC#N

Isomeric SMILES

CCCN1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)C4=CC=C(C=C4)SC(CC(C)C)C(=O)NCC#N

InChI

InChI=1S/C30H37N5O2S/c1-4-13-34-14-16-35(17-15-34)30(37)27-20-24-19-23(7-10-26(24)33-27)22-5-8-25(9-6-22)38-28(18-21(2)3)29(36)32-12-11-31/h5-10,19-21,28,33H,4,12-18H2,1-3H3,(H,32,36)