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

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[homoveratrylthiocarbamoyl-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C26H35N4O3S+ MolecularWeight: 483.6461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C26H34N4O3S/c1-18-6-8-22-20(14-18)16-21(25(31)28-22)17-30(13-12-29(2)3)26(34)27-11-10-19-7-9-23(32-4)24(15-19)33-5/h6-9,14-16H,10-13,17H2,1-5H3,(H,27,34)(H,28,31)/p+1