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

Systemtic Name: 3-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-ethoxyphenyl)carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-ethoxyphenyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-ethoxyanilino)-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-ethoxyphenyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl-(p-phenetylthiocarbamoyl)amino]propyl-dimethyl-ammonium Formula: C26H35N4O4S+ MolecularWeight: 499.6455

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O4S/c1-6-34-21-10-8-20(9-11-21)27-26(35)30(13-7-12-29(2)3)17-19-14-18-15-23(32-4)24(33-5)16-22(18)28-25(19)31/h8-11,14-16H,6-7,12-13,17H2,1-5H3,(H,27,35)(H,28,31)/p+1