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

Systemtic Name: 2-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(phenethylcarbamothioyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(phenethylcarbamothioyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(phenethylamino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(phenethylcarbamothioyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl-(phenethylthiocarbamoyl)amino]ethyl-dimethyl-ammonium Formula: C24H31N4O2S+ MolecularWeight: 439.59354

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O2S/c1-27(2)13-14-28(24(31)25-12-11-18-7-5-4-6-8-18)17-20-15-19-16-21(30-3)9-10-22(19)26-23(20)29/h4-10,15-16H,11-14,17H2,1-3H3,(H,25,31)(H,26,29)/p+1