methyl-[2-(2-methylpropyl)-6-(4-methyl-1,3-thiazol-2-yl)-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]carbamic acid

Systemtic Name: methyl-[2-(2-methylpropyl)-6-(4-methyl-1,3-thiazol-2-yl)-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]carbamic acid Openeye Name: [2-isobutyl-6-(4-methylthiazol-2-yl)-1-oxo-4-phenyl-3-isoquinolyl]-methyl-carbamic acid CAS Name: methyl-[2-(2-methylpropyl)-6-(4-methyl-2-thiazolyl)-1-oxo-4-phenyl-3-isoquinolinyl]carbamic acid IUPAC Name: methyl-[2-(2-methylpropyl)-6-(4-methyl-1,3-thiazol-2-yl)-1-oxo-4-phenylisoquinolin-3-yl]carbamic acid Traditional Name: [2-isobutyl-1-keto-6-(4-methylthiazol-2-yl)-4-phenyl-3-isoquinolyl]-methyl-carbamic acid Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C2=CC3=C(C=C2)C(=O)N(C(=C3C4=CC=CC=C4)N(C)C(=O)O)CC(C)C

Isomeric SMILES

CC1=CSC(=N1)C2=CC3=C(C=C2)C(=O)N(C(=C3C4=CC=CC=C4)N(C)C(=O)O)CC(C)C

InChI

InChI=1S/C25H25N3O3S/c1-15(2)13-28-23(27(4)25(30)31)21(17-8-6-5-7-9-17)20-12-18(10-11-19(20)24(28)29)22-26-16(3)14-32-22/h5-12,14-15H,13H2,1-4H3,(H,30,31)