3-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-methylpropylcarbamothioyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-methylpropylcarbamothioyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[isobutylcarbamothioyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(2-methylpropylamino)-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(2-methylpropylcarbamothioyl)amino]propyl-dimethylazanium Traditional Name: 3-[isobutylthiocarbamoyl-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-ammonium Formula: C21H33N4O2S+ MolecularWeight: 405.57732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=S)N(CCC[NH+](C)C)CC1=CC2=C(C=C(C=C2)OC)NC1=O

Isomeric SMILES

CC(C)CNC(=S)N(CCC[NH+](C)C)CC1=CC2=C(C=C(C=C2)OC)NC1=O

InChI

InChI=1S/C21H32N4O2S/c1-15(2)13-22-21(28)25(10-6-9-24(3)4)14-17-11-16-7-8-18(27-5)12-19(16)23-20(17)26/h7-8,11-12,15H,6,9-10,13-14H2,1-5H3,(H,22,28)(H,23,26)/p+1