tert-butyl N-[[6-(5-cyano-4-methyl-1,3-thiazol-2-yl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[6-(5-cyano-4-methyl-1,3-thiazol-2-yl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[6-(5-cyano-4-methyl-thiazol-2-yl)-2-isobutyl-1-oxo-4-phenyl-3-isoquinolyl]methyl]carbamate CAS Name: N-[[6-(5-cyano-4-methyl-2-thiazolyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[6-(5-cyano-4-methyl-1,3-thiazol-2-yl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[6-(5-cyano-4-methyl-thiazol-2-yl)-2-isobutyl-1-keto-4-phenyl-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C30H32N4O3S MolecularWeight: 528.66508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC3=C(C=C2)C(=O)N(C(=C3C4=CC=CC=C4)CNC(=O)OC(C)(C)C)CC(C)C)C#N

Isomeric SMILES

CC1=C(SC(=N1)C2=CC3=C(C=C2)C(=O)N(C(=C3C4=CC=CC=C4)CNC(=O)OC(C)(C)C)CC(C)C)C#N

InChI

InChI=1S/C30H32N4O3S/c1-18(2)17-34-24(16-32-29(36)37-30(4,5)6)26(20-10-8-7-9-11-20)23-14-21(12-13-22(23)28(34)35)27-33-19(3)25(15-31)38-27/h7-14,18H,16-17H2,1-6H3,(H,32,36)