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

Systemtic Name: tert-butyl N-[[6-(5-aminocarbonyl-4-methyl-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-(5-carbamoyl-4-methyl-thiazol-2-yl)-2-isobutyl-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[4-butoxy-6-(5-carbamoyl-4-methyl-2-thiazolyl)-2-(2-methylpropyl)-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-butoxy-6-(5-carbamoyl-4-methyl-1,3-thiazol-2-yl)-2-(2-methylpropyl)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[4-butoxy-6-(5-carbamoyl-4-methyl-thiazol-2-yl)-2-isobutyl-1-keto-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C28H38N4O5S MolecularWeight: 542.69012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=NC(=C(S3)C(=O)N)C)CC(C)C)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=NC(=C(S3)C(=O)N)C)CC(C)C)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C28H38N4O5S/c1-8-9-12-36-22-20-13-18(25-31-17(4)23(38-25)24(29)33)10-11-19(20)26(34)32(15-16(2)3)21(22)14-30-27(35)37-28(5,6)7/h10-11,13,16H,8-9,12,14-15H2,1-7H3,(H2,29,33)(H,30,35)