N-(cyanomethyl)-4-methyl-2-(4-quinolin-8-ylphenyl)sulfanyl-pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-(4-quinolin-8-ylphenyl)sulfanyl-pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[4-(8-quinolyl)phenyl]sulfanyl-pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[4-(8-quinolinyl)phenyl]thio]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-(4-quinolin-8-ylphenyl)sulfanylpentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[4-(8-quinolyl)phenyl]thio]valeramide Formula: C23H23N3OS MolecularWeight: 389.51322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)SC1=CC=C(C=C1)C2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)SC1=CC=C(C=C1)C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C23H23N3OS/c1-16(2)15-21(23(27)26-14-12-24)28-19-10-8-17(9-11-19)20-7-3-5-18-6-4-13-25-22(18)20/h3-11,13,16,21H,14-15H2,1-2H3,(H,26,27)