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

Systemtic Name: 2-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-methylpropylcarbamothioyl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-(isobutylcarbamothioyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(2-methylpropylamino)-sulfanylidenemethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-(2-methylpropylcarbamothioyl)amino]ethyl-diethylazanium Traditional Name: 2-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl-(isobutylthiocarbamoyl)amino]ethyl-diethyl-ammonium Formula: C23H37N4O2S+ MolecularWeight: 433.63048

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(CC1=CC2=C(C=CC(=C2)OCC)NC1=O)C(=S)NCC(C)C

Isomeric SMILES

CC[NH+](CC)CCN(CC1=CC2=C(C=CC(=C2)OCC)NC1=O)C(=S)NCC(C)C

InChI

InChI=1S/C23H36N4O2S/c1-6-26(7-2)11-12-27(23(30)24-15-17(4)5)16-19-13-18-14-20(29-8-3)9-10-21(18)25-22(19)28/h9-10,13-14,17H,6-8,11-12,15-16H2,1-5H3,(H,24,30)(H,25,28)/p+1