N-(cyanomethyl)-4-methyl-2-[(4-quinolin-5-ylthiophen-3-yl)amino]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[(4-quinolin-5-ylthiophen-3-yl)amino]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[[4-(5-quinolyl)-3-thienyl]amino]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[4-(5-quinolinyl)-3-thiophenyl]amino]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[(4-quinolin-5-ylthiophen-3-yl)amino]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[4-(5-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=C3C=CC=NC3=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC1=CSC=C1C2=C3C=CC=NC3=CC=C2

InChI

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