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

Systemtic Name: 2-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-methoxyethylcarbamothioyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-(2-methoxyethylcarbamothioyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(2-methoxyethylamino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-(2-methoxyethylcarbamothioyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl-(2-methoxyethylthiocarbamoyl)amino]ethyl-dimethyl-ammonium Formula: C20H31N4O3S+ MolecularWeight: 407.55014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O3S/c1-5-27-17-6-7-18-15(13-17)12-16(19(25)22-18)14-24(10-9-23(2)3)20(28)21-8-11-26-4/h6-7,12-13H,5,8-11,14H2,1-4H3,(H,21,28)(H,22,25)/p+1