3-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-methylpropylcarbamothioyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-methylpropylcarbamothioyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(isobutylcarbamothioyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(2-methylpropylamino)-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-methylpropylcarbamothioyl)amino]propyl-dimethylazanium Traditional Name: 3-[isobutylthiocarbamoyl-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-ammonium Formula: C22H35N4OS+ MolecularWeight: 403.6045

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CCC[NH+](C)C)C(=S)NCC(C)C)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CCC[NH+](C)C)C(=S)NCC(C)C)C

InChI

InChI=1S/C22H34N4OS/c1-15(2)13-23-22(28)26(9-7-8-25(5)6)14-18-12-19-17(4)10-16(3)11-20(19)24-21(18)27/h10-12,15H,7-9,13-14H2,1-6H3,(H,23,28)(H,24,27)/p+1