(5E)-1-ethanoyl-5-[(7-methoxy-2-morpholin-4-yl-quinolin-1-ium-3-yl)methylidene]-2-sulfanylidene-imidazolidin-4-one

Systemtic Name: (5E)-1-ethanoyl-5-[(7-methoxy-2-morpholin-4-yl-quinolin-1-ium-3-yl)methylidene]-2-sulfanylidene-imidazolidin-4-one Openeye Name: (5E)-1-acetyl-5-[(7-methoxy-2-morpholino-quinolin-1-ium-3-yl)methylene]-2-thioxo-imidazolidin-4-one CAS Name: (5E)-1-acetyl-5-[[7-methoxy-2-(4-morpholinyl)-3-quinolin-1-iumyl]methylidene]-2-sulfanylidene-4-imidazolidinone IUPAC Name: (5E)-1-acetyl-5-[(7-methoxy-2-morpholin-4-ylquinolin-1-ium-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one Traditional Name: (5E)-1-acetyl-5-[(7-methoxy-2-morpholino-quinolin-1-ium-3-yl)methylene]-2-thioxo-4-imidazolidinone Formula: C20H21N4O4S+ MolecularWeight: 413.47014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=CC2=C([NH+]=C3C=C(C=CC3=C2)OC)N4CCOCC4)C(=O)NC1=S

Isomeric SMILES

CC(=O)N1/C(=C/C2=C([NH+]=C3C=C(C=CC3=C2)OC)N4CCOCC4)/C(=O)NC1=S

InChI

InChI=1S/C20H20N4O4S/c1-12(25)24-17(19(26)22-20(24)29)10-14-9-13-3-4-15(27-2)11-16(13)21-18(14)23-5-7-28-8-6-23/h3-4,9-11H,5-8H2,1-2H3,(H,22,26,29)/p+1/b17-10+