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

Systemtic Name: 2-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(2-methoxycarbonylphenyl)carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(2-methoxycarbonylphenyl)carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(2-methoxycarbonylanilino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(2-methoxycarbonylphenyl)carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(2-carbomethoxyphenyl)thiocarbamoyl-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C25H31N4O4S+ MolecularWeight: 483.60304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C25H30N4O4S/c1-5-33-19-10-11-21-17(15-19)14-18(23(30)26-21)16-29(13-12-28(2)3)25(34)27-22-9-7-6-8-20(22)24(31)32-4/h6-11,14-15H,5,12-13,16H2,1-4H3,(H,26,30)(H,27,34)/p+1