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

Systemtic Name: 2-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(2-methoxycarbonylphenyl)carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(2-methoxycarbonylphenyl)carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(2-methoxycarbonylanilino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(2-methoxycarbonylphenyl)carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(2-carbomethoxyphenyl)thiocarbamoyl-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C25H31N4O5S+ MolecularWeight: 499.60244

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=CC2=CC(=C(C=C2NC1=O)OC)OC)C(=S)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

C[NH+](C)CCN(CC1=CC2=CC(=C(C=C2NC1=O)OC)OC)C(=S)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C25H30N4O5S/c1-28(2)10-11-29(25(35)27-19-9-7-6-8-18(19)24(31)34-5)15-17-12-16-13-21(32-3)22(33-4)14-20(16)26-23(17)30/h6-9,12-14H,10-11,15H2,1-5H3,(H,26,30)(H,27,35)/p+1