N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-4-(2-methyl-1-oxidanylidene-isoquinolin-3-yl)butanamide

Systemtic Name: N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-4-(2-methyl-1-oxidanylidene-isoquinolin-3-yl)butanamide Openeye Name: N-[5-[(5-tert-butyloxazol-2-yl)methylsulfanyl]thiazol-2-yl]-4-(2-methyl-1-oxo-3-isoquinolyl)butanamide CAS Name: N-[5-[(5-tert-butyl-2-oxazolyl)methylthio]-2-thiazolyl]-4-(2-methyl-1-oxo-3-isoquinolinyl)butanamide IUPAC Name: N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-4-(2-methyl-1-oxoisoquinolin-3-yl)butanamide Traditional Name: N-[5-[(5-tert-butyloxazol-2-yl)methylthio]thiazol-2-yl]-4-(1-keto-2-methyl-3-isoquinolyl)butyramide Formula: C25H28N4O3S2 MolecularWeight: 496.64482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CN=C(O1)CSC2=CN=C(S2)NC(=O)CCCC3=CC4=CC=CC=C4C(=O)N3C

Isomeric SMILES

CC(C)(C)C1=CN=C(O1)CSC2=CN=C(S2)NC(=O)CCCC3=CC4=CC=CC=C4C(=O)N3C

InChI

InChI=1S/C25H28N4O3S2/c1-25(2,3)19-13-26-21(32-19)15-33-22-14-27-24(34-22)28-20(30)11-7-9-17-12-16-8-5-6-10-18(16)23(31)29(17)4/h5-6,8,10,12-14H,7,9,11,15H2,1-4H3,(H,27,28,30)