[6-(4-aminocarbonyl-1,3-thiazol-2-yl)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-3-yl]methylcarbamic acid

Systemtic Name: [6-(4-aminocarbonyl-1,3-thiazol-2-yl)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-3-yl]methylcarbamic acid Openeye Name: [4-butoxy-6-(4-carbamoylthiazol-2-yl)-2-isobutyl-1-oxo-3-isoquinolyl]methylcarbamic acid CAS Name: [4-butoxy-6-(4-carbamoyl-2-thiazolyl)-2-(2-methylpropyl)-1-oxo-3-isoquinolinyl]methylcarbamic acid IUPAC Name: [4-butoxy-6-(4-carbamoyl-1,3-thiazol-2-yl)-2-(2-methylpropyl)-1-oxoisoquinolin-3-yl]methylcarbamic acid Traditional Name: [4-butoxy-6-(4-carbamoylthiazol-2-yl)-2-isobutyl-1-keto-3-isoquinolyl]methylcarbamic acid Formula: C23H28N4O5S MolecularWeight: 472.55722

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O5S/c1-4-5-8-32-19-16-9-14(21-26-17(12-33-21)20(24)28)6-7-15(16)22(29)27(11-13(2)3)18(19)10-25-23(30)31/h6-7,9,12-13,25H,4-5,8,10-11H2,1-3H3,(H2,24,28)(H,30,31)