N-(cyanomethyl)-4-methyl-2-[(4-pyridin-4-ylthiophen-3-yl)amino]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[(4-pyridin-4-ylthiophen-3-yl)amino]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[[4-(4-pyridyl)-3-thienyl]amino]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[(4-pyridin-4-yl-3-thiophenyl)amino]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[(4-pyridin-4-ylthiophen-3-yl)amino]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[4-(4-pyridyl)-3-thienyl]amino]valeramide Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4OS/c1-12(2)9-15(17(22)20-8-5-18)21-16-11-23-10-14(16)13-3-6-19-7-4-13/h3-4,6-7,10-12,15,21H,8-9H2,1-2H3,(H,20,22)