[1-[6-azanylsulfanylcarbonyl-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]-2,2-dimethyl-propyl]carbamic acid

Systemtic Name: [1-[6-azanylsulfanylcarbonyl-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]-2,2-dimethyl-propyl]carbamic acid Openeye Name: [1-(6-aminosulfanylcarbonyl-2-isobutyl-1-oxo-4-phenyl-3-isoquinolyl)-2,2-dimethyl-propyl]carbamic acid CAS Name: [1-[6-[(aminothio)-oxomethyl]-2-(2-methylpropyl)-1-oxo-4-phenyl-3-isoquinolinyl]-2,2-dimethylpropyl]carbamic acid IUPAC Name: [1-[6-aminosulfanylcarbonyl-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-3-yl]-2,2-dimethylpropyl]carbamic acid Traditional Name: [1-[6-(aminothio)carbonyl-2-isobutyl-1-keto-4-phenyl-3-isoquinolyl]-2,2-dimethyl-propyl]carbamic acid Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C(=O)SN)C3=CC=CC=C3)C(C(C)(C)C)NC(=O)O

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C(=O)SN)C3=CC=CC=C3)C(C(C)(C)C)NC(=O)O

InChI

InChI=1S/C26H31N3O4S/c1-15(2)14-29-21(22(26(3,4)5)28-25(32)33)20(16-9-7-6-8-10-16)19-13-17(24(31)34-27)11-12-18(19)23(29)30/h6-13,15,22,28H,14,27H2,1-5H3,(H,32,33)