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

Systemtic Name: 2-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-methoxypropylcarbamothioyl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-methoxypropylcarbamothioyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(3-methoxypropylamino)-sulfanylidenemethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-methoxypropylcarbamothioyl)amino]ethyl-diethylazanium Traditional Name: diethyl-[2-[(2-keto-6,8-dimethyl-1H-quinolin-3-yl)methyl-(3-methoxypropylthiocarbamoyl)amino]ethyl]ammonium Formula: C23H37N4O2S+ MolecularWeight: 433.63048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36N4O2S/c1-6-26(7-2)10-11-27(23(30)24-9-8-12-29-5)16-20-15-19-14-17(3)13-18(4)21(19)25-22(20)28/h13-15H,6-12,16H2,1-5H3,(H,24,30)(H,25,28)/p+1