3-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(3-methylphenyl)carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(3-methylphenyl)carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-(m-tolylcarbamothioyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(3-methylanilino)-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(3-methylphenyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl-(m-tolylthiocarbamoyl)amino]propyl-dimethyl-ammonium Formula: C25H33N4O3S+ MolecularWeight: 469.61952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N(CCC[NH+](C)C)CC2=CC3=CC(=C(C=C3NC2=O)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N(CCC[NH+](C)C)CC2=CC3=CC(=C(C=C3NC2=O)OC)OC

InChI

InChI=1S/C25H32N4O3S/c1-17-8-6-9-20(12-17)26-25(33)29(11-7-10-28(2)3)16-19-13-18-14-22(31-4)23(32-5)15-21(18)27-24(19)30/h6,8-9,12-15H,7,10-11,16H2,1-5H3,(H,26,33)(H,27,30)/p+1