3-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-morpholin-4-ylpropylcarbamothioyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-morpholin-4-ylpropylcarbamothioyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholinopropylcarbamothioyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[3-(4-morpholinyl)propylamino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ylpropylcarbamothioyl)amino]propyl-dimethylazanium Traditional Name: 3-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl-(3-morpholinopropylthiocarbamoyl)amino]propyl-dimethyl-ammonium Formula: C24H38N5O3S+ MolecularWeight: 476.65522

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CC1=CC2=C(C=C(C=C2)OC)NC1=O)C(=S)NCCCN3CCOCC3

Isomeric SMILES

C[NH+](C)CCCN(CC1=CC2=C(C=C(C=C2)OC)NC1=O)C(=S)NCCCN3CCOCC3

InChI

InChI=1S/C24H37N5O3S/c1-27(2)9-5-11-29(24(33)25-8-4-10-28-12-14-32-15-13-28)18-20-16-19-6-7-21(31-3)17-22(19)26-23(20)30/h6-7,16-17H,4-5,8-15,18H2,1-3H3,(H,25,33)(H,26,30)/p+1