2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[homoveratrylthiocarbamoyl-[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C26H35N4O4S+ MolecularWeight: 499.6455

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=CC2=C(C=CC(=C2)OC)NC1=O)C(=S)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[NH+](C)CCN(CC1=CC2=C(C=CC(=C2)OC)NC1=O)C(=S)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C26H34N4O4S/c1-29(2)12-13-30(17-20-15-19-16-21(32-3)7-8-22(19)28-25(20)31)26(35)27-11-10-18-6-9-23(33-4)24(14-18)34-5/h6-9,14-16H,10-13,17H2,1-5H3,(H,27,35)(H,28,31)/p+1