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

Systemtic Name: 2-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-ethoxyphenyl)carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-ethoxyphenyl)carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-ethoxyanilino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-ethoxyphenyl)carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl-(p-phenetylthiocarbamoyl)amino]ethyl-dimethyl-ammonium Formula: C25H33N4O4S+ MolecularWeight: 485.61892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N(CC[NH+](C)C)CC2=CC3=CC(=C(C=C3NC2=O)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N(CC[NH+](C)C)CC2=CC3=CC(=C(C=C3NC2=O)OC)OC

InChI

InChI=1S/C25H32N4O4S/c1-6-33-20-9-7-19(8-10-20)26-25(34)29(12-11-28(2)3)16-18-13-17-14-22(31-4)23(32-5)15-21(17)27-24(18)30/h7-10,13-15H,6,11-12,16H2,1-5H3,(H,26,34)(H,27,30)/p+1