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

Systemtic Name: dimethyl-[2-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(phenethylcarbamothioyl)amino]ethyl]azanium Openeye Name: dimethyl-[2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenethylcarbamothioyl)amino]ethyl]ammonium CAS Name: dimethyl-[2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-[(phenethylamino)-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenethylcarbamothioyl)amino]ethyl]azanium Traditional Name: 2-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl-(phenethylthiocarbamoyl)amino]ethyl-dimethyl-ammonium Formula: C24H31N4OS+ MolecularWeight: 423.59414

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4OS/c1-18-9-10-22-20(15-18)16-21(23(29)26-22)17-28(14-13-27(2)3)24(30)25-12-11-19-7-5-4-6-8-19/h4-10,15-16H,11-14,17H2,1-3H3,(H,25,30)(H,26,29)/p+1