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

Systemtic Name: tert-butyl N-[[6-(4-aminocarbonyl-1,3-thiazol-2-yl)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[4-butoxy-6-(4-carbamoylthiazol-2-yl)-2-isobutyl-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[4-butoxy-6-(4-carbamoyl-2-thiazolyl)-2-(2-methylpropyl)-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-butoxy-6-(4-carbamoyl-1,3-thiazol-2-yl)-2-(2-methylpropyl)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[4-butoxy-6-(4-carbamoylthiazol-2-yl)-2-isobutyl-1-keto-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C27H36N4O5S MolecularWeight: 528.66354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=NC(=CS3)C(=O)N)CC(C)C)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=NC(=CS3)C(=O)N)CC(C)C)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C27H36N4O5S/c1-7-8-11-35-22-19-12-17(24-30-20(15-37-24)23(28)32)9-10-18(19)25(33)31(14-16(2)3)21(22)13-29-26(34)36-27(4,5)6/h9-10,12,15-16H,7-8,11,13-14H2,1-6H3,(H2,28,32)(H,29,34)