N-(cyanomethyl)-4-methyl-2-[(4-quinolin-6-ylthiophen-3-yl)amino]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[(4-quinolin-6-ylthiophen-3-yl)amino]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[[4-(6-quinolyl)-3-thienyl]amino]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[4-(6-quinolinyl)-3-thiophenyl]amino]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[(4-quinolin-6-ylthiophen-3-yl)amino]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[4-(6-quinolyl)-3-thienyl]amino]valeramide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC1=CSC=C1C2=CC3=C(C=C2)N=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC1=CSC=C1C2=CC3=C(C=C2)N=CC=C3

InChI

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