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

Systemtic Name: 3-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-methyl-5-nitro-phenyl)propanamide Openeye Name: 3-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: 3-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: 3-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: 3-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSC2=NC3=C(CC(CC3)C(C)(C)C)C=C2C#N

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSC2=NC3=C(CC(CC3)C(C)(C)C)C=C2C#N

InChI

InChI=1S/C24H28N4O3S/c1-15-5-7-19(28(30)31)13-21(15)26-22(29)9-10-32-23-17(14-25)11-16-12-18(24(2,3)4)6-8-20(16)27-23/h5,7,11,13,18H,6,8-10,12H2,1-4H3,(H,26,29)