dimethyl-[3-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(phenethylcarbamothioyl)amino]propyl]azanium

Systemtic Name: dimethyl-[3-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(phenethylcarbamothioyl)amino]propyl]azanium Openeye Name: dimethyl-[3-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenethylcarbamothioyl)amino]propyl]ammonium CAS Name: dimethyl-[3-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-[(phenethylamino)-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenethylcarbamothioyl)amino]propyl]azanium Traditional Name: 3-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl-(phenethylthiocarbamoyl)amino]propyl-dimethyl-ammonium Formula: C25H33N4OS+ MolecularWeight: 437.62072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCC[NH+](C)C)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCC[NH+](C)C)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C25H32N4OS/c1-19-9-7-12-21-17-22(24(30)27-23(19)21)18-29(16-8-15-28(2)3)25(31)26-14-13-20-10-5-4-6-11-20/h4-7,9-12,17H,8,13-16,18H2,1-3H3,(H,26,31)(H,27,30)/p+1