N-(cyanomethyl)-4-methyl-2-[(4-quinolin-8-ylthiophen-3-yl)amino]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[(4-quinolin-8-ylthiophen-3-yl)amino]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[[4-(8-quinolyl)-3-thienyl]amino]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[4-(8-quinolinyl)-3-thiophenyl]amino]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[(4-quinolin-8-ylthiophen-3-yl)amino]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[4-(8-quinolyl)-3-thienyl]amino]valeramide Formula: C21H22N4OS MolecularWeight: 378.49058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC1=CSC=C1C2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC1=CSC=C1C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C21H22N4OS/c1-14(2)11-18(21(26)24-10-8-22)25-19-13-27-12-17(19)16-7-3-5-15-6-4-9-23-20(15)16/h3-7,9,12-14,18,25H,10-11H2,1-2H3,(H,24,26)