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

Systemtic Name: tert-butyl N-[[2-(2-methylpropyl)-6-methylsulfanyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[(2-isobutyl-6-methylsulfanyl-1-oxo-4-phenyl-3-isoquinolyl)methyl]carbamate CAS Name: N-[[2-(2-methylpropyl)-6-(methylthio)-1-oxo-4-phenyl-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[2-(2-methylpropyl)-6-methylsulfanyl-1-oxo-4-phenylisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[2-isobutyl-1-keto-6-(methylthio)-4-phenyl-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C26H32N2O3S MolecularWeight: 452.60888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)SC)C3=CC=CC=C3)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)SC)C3=CC=CC=C3)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C26H32N2O3S/c1-17(2)16-28-22(15-27-25(30)31-26(3,4)5)23(18-10-8-7-9-11-18)21-14-19(32-6)12-13-20(21)24(28)29/h7-14,17H,15-16H2,1-6H3,(H,27,30)