N-tert-butyl-2-[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-2-oxidanylidene-3,4-dihydroquinolin-3-yl]-(1-methylimidazol-4-yl)sulfonyl-amino]ethanamide

Systemtic Name: N-tert-butyl-2-[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-2-oxidanylidene-3,4-dihydroquinolin-3-yl]-(1-methylimidazol-4-yl)sulfonyl-amino]ethanamide Openeye Name: N-tert-butyl-2-[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-(1-methylimidazol-4-yl)sulfonyl-amino]acetamide CAS Name: N-tert-butyl-2-[[6-cyano-1-[(3-methyl-4-imidazolyl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-[(1-methyl-4-imidazolyl)sulfonyl]amino]acetamide IUPAC Name: N-tert-butyl-2-[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-(1-methylimidazol-4-yl)sulfonylamino]acetamide Traditional Name: N-tert-butyl-2-[[6-cyano-2-keto-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydroquinolin-3-yl]-(1-methylimidazol-4-yl)sulfonyl-amino]acetamide Formula: C25H30N8O4S MolecularWeight: 538.6219

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN(C1CC2=C(C=CC(=C2)C#N)N(C1=O)CC3=CN=CN3C)S(=O)(=O)C4=CN(C=N4)C

Isomeric SMILES

CC(C)(C)NC(=O)CN(C1CC2=C(C=CC(=C2)C#N)N(C1=O)CC3=CN=CN3C)S(=O)(=O)C4=CN(C=N4)C

InChI

InChI=1S/C25H30N8O4S/c1-25(2,3)29-22(34)13-33(38(36,37)23-14-30(4)16-28-23)21-9-18-8-17(10-26)6-7-20(18)32(24(21)35)12-19-11-27-15-31(19)5/h6-8,11,14-16,21H,9,12-13H2,1-5H3,(H,29,34)