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

Systemtic Name: tert-butyl N-[[6-aminocarbonyl-2-(2-methylpropyl)-1-oxidanylidene-4-thiophen-2-yl-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[6-carbamoyl-2-isobutyl-1-oxo-4-(2-thienyl)-3-isoquinolyl]methyl]carbamate CAS Name: N-[[6-carbamoyl-2-(2-methylpropyl)-1-oxo-4-thiophen-2-yl-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[6-carbamoyl-2-(2-methylpropyl)-1-oxo-4-thiophen-2-ylisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[6-carbamoyl-2-isobutyl-1-keto-4-(2-thienyl)-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4S/c1-14(2)13-27-18(12-26-23(30)31-24(3,4)5)20(19-7-6-10-32-19)17-11-15(21(25)28)8-9-16(17)22(27)29/h6-11,14H,12-13H2,1-5H3,(H2,25,28)(H,26,30)