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

Systemtic Name: tert-butyl N-[[6-(4-acetamido-1,3-thiazol-2-yl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[6-(4-acetamidothiazol-2-yl)-2-isobutyl-1-oxo-4-phenyl-3-isoquinolyl]methyl]carbamate CAS Name: N-[[6-(4-acetamido-2-thiazolyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[6-(4-acetamido-1,3-thiazol-2-yl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[6-(4-acetamidothiazol-2-yl)-2-isobutyl-1-keto-4-phenyl-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C30H34N4O4S MolecularWeight: 546.68036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C3=NC(=CS3)NC(=O)C)C4=CC=CC=C4)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C3=NC(=CS3)NC(=O)C)C4=CC=CC=C4)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C30H34N4O4S/c1-18(2)16-34-24(15-31-29(37)38-30(4,5)6)26(20-10-8-7-9-11-20)23-14-21(12-13-22(23)28(34)36)27-33-25(17-39-27)32-19(3)35/h7-14,17-18H,15-16H2,1-6H3,(H,31,37)(H,32,35)