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

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[[4-(1H-pyrrol-2-yl)thiophen-3-yl]amino]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[[4-(1H-pyrrol-2-yl)-3-thienyl]amino]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[4-(1H-pyrrol-2-yl)-3-thiophenyl]amino]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[[4-(1H-pyrrol-2-yl)thiophen-3-yl]amino]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[4-(1H-pyrrol-2-yl)-3-thienyl]amino]valeramide Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC1=CSC=C1C2=CC=CN2

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC1=CSC=C1C2=CC=CN2

InChI

InChI=1S/C16H20N4OS/c1-11(2)8-14(16(21)19-7-5-17)20-15-10-22-9-12(15)13-4-3-6-18-13/h3-4,6,9-11,14,18,20H,7-8H2,1-2H3,(H,19,21)