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

Systemtic Name: tert-butyl N-[[6-(4-azanyl-1,3-thiazol-2-yl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[6-(4-aminothiazol-2-yl)-2-isobutyl-1-oxo-4-phenyl-3-isoquinolyl]methyl]carbamate CAS Name: N-[[6-(4-amino-2-thiazolyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[6-(4-amino-1,3-thiazol-2-yl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[6-(4-aminothiazol-2-yl)-2-isobutyl-1-keto-4-phenyl-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C28H32N4O3S MolecularWeight: 504.64368

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H32N4O3S/c1-17(2)15-32-22(14-30-27(34)35-28(3,4)5)24(18-9-7-6-8-10-18)21-13-19(11-12-20(21)26(32)33)25-31-23(29)16-36-25/h6-13,16-17H,14-15,29H2,1-5H3,(H,30,34)