N-(2-cyano-3-methyl-butan-2-yl)-2-quinolin-2-ylsulfanyl-propanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-quinolin-2-ylsulfanyl-propanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-(2-quinolylsulfanyl)propanamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-(2-quinolinylthio)propanamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-quinolin-2-ylsulfanylpropanamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-(2-quinolylthio)propionamide Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NC2=CC=CC=C2C=C1

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NC2=CC=CC=C2C=C1

InChI

InChI=1S/C18H21N3OS/c1-12(2)18(4,11-19)21-17(22)13(3)23-16-10-9-14-7-5-6-8-15(14)20-16/h5-10,12-13H,1-4H3,(H,21,22)