N-(cyanomethyl)-4-methyl-2-[[4-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]thiophen-3-yl]amino]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[[4-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]thiophen-3-yl]amino]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridyl]-3-thienyl]amino]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[4-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-3-thiophenyl]amino]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[[4-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]thiophen-3-yl]amino]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[4-[6-(4-methylpiperazino)-3-pyridyl]-3-thienyl]amino]valeramide Formula: C22H30N6OS MolecularWeight: 426.5782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC1=CSC=C1C2=CN=C(C=C2)N3CCN(CC3)C

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC1=CSC=C1C2=CN=C(C=C2)N3CCN(CC3)C

InChI

InChI=1S/C22H30N6OS/c1-16(2)12-19(22(29)24-7-6-23)26-20-15-30-14-18(20)17-4-5-21(25-13-17)28-10-8-27(3)9-11-28/h4-5,13-16,19,26H,7-12H2,1-3H3,(H,24,29)