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

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[[4-[4-(4-methylpiperazin-1-yl)phenyl]thiophen-3-yl]amino]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[[4-[4-(4-methylpiperazin-1-yl)phenyl]-3-thienyl]amino]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[4-[4-(4-methyl-1-piperazinyl)phenyl]-3-thiophenyl]amino]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[[4-[4-(4-methylpiperazin-1-yl)phenyl]thiophen-3-yl]amino]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[4-[4-(4-methylpiperazino)phenyl]-3-thienyl]amino]valeramide Formula: C23H31N5OS MolecularWeight: 425.59014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5OS/c1-17(2)14-21(23(29)25-9-8-24)26-22-16-30-15-20(22)18-4-6-19(7-5-18)28-12-10-27(3)11-13-28/h4-7,15-17,21,26H,9-14H2,1-3H3,(H,25,29)