3-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Systemtic Name: 3-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide Openeye Name: 3-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(5-methylisoxazol-3-yl)propanamide CAS Name: 3-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(5-methyl-3-isoxazolyl)propanamide IUPAC Name: 3-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide Traditional Name: 3-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CCSC2=NC3=C(CC(CC3)C(C)(C)C)C=C2C#N

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CCSC2=NC3=C(CC(CC3)C(C)(C)C)C=C2C#N

InChI

InChI=1S/C21H26N4O2S/c1-13-9-18(25-27-13)24-19(26)7-8-28-20-15(12-22)10-14-11-16(21(2,3)4)5-6-17(14)23-20/h9-10,16H,5-8,11H2,1-4H3,(H,24,25,26)