N-[(2S)-butan-2-yl]-2-(3-cyano-6-propan-2-yl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-(3-cyano-6-propan-2-yl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-[(3-cyano-6-isopropyl-2-quinolyl)sulfanyl]-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[(3-cyano-6-propan-2-yl-2-quinolinyl)thio]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-cyano-6-isopropyl-2-quinolyl)thio]-N-[(1S)-1-methylpropyl]acetamide Formula: C19H23N3OS MolecularWeight: 341.47042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=C(C=C(C=C2)C(C)C)C=C1C#N

Isomeric SMILES

CC[C@H](C)NC(=O)CSC1=NC2=C(C=C(C=C2)C(C)C)C=C1C#N

InChI

InChI=1S/C19H23N3OS/c1-5-13(4)21-18(23)11-24-19-16(10-20)9-15-8-14(12(2)3)6-7-17(15)22-19/h6-9,12-13H,5,11H2,1-4H3,(H,21,23)/t13-/m0/s1