2-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(2,4-dimethylphenyl)carbamothioyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(2,4-dimethylphenyl)carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(2,4-dimethylphenyl)carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(2,4-dimethylanilino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(2,4-dimethylphenyl)carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(2,4-dimethylphenyl)thiocarbamoyl-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C25H33N4O3S+ MolecularWeight: 469.61952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O3S/c1-16-7-8-20(17(2)11-16)27-25(33)29(10-9-28(3)4)15-19-12-18-13-22(31-5)23(32-6)14-21(18)26-24(19)30/h7-8,11-14H,9-10,15H2,1-6H3,(H,26,30)(H,27,33)/p+1