2-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-methylpropylcarbamothioyl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-methylpropylcarbamothioyl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(isobutylcarbamothioyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(2-methylpropylamino)-sulfanylidenemethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-methylpropylcarbamothioyl)amino]ethyl-diethylazanium Traditional Name: diethyl-[2-[isobutylthiocarbamoyl-[(2-keto-6,8-dimethyl-1H-quinolin-3-yl)methyl]amino]ethyl]ammonium Formula: C23H37N4OS+ MolecularWeight: 417.63108

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(CC1=CC2=CC(=CC(=C2NC1=O)C)C)C(=S)NCC(C)C

Isomeric SMILES

CC[NH+](CC)CCN(CC1=CC2=CC(=CC(=C2NC1=O)C)C)C(=S)NCC(C)C

InChI

InChI=1S/C23H36N4OS/c1-7-26(8-2)9-10-27(23(29)24-14-16(3)4)15-20-13-19-12-17(5)11-18(6)21(19)25-22(20)28/h11-13,16H,7-10,14-15H2,1-6H3,(H,24,29)(H,25,28)/p+1