2-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-methoxyethylcarbamothioyl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-methoxyethylcarbamothioyl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-methoxyethylcarbamothioyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(2-methoxyethylamino)-sulfanylidenemethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-methoxyethylcarbamothioyl)amino]ethyl-diethylazanium Traditional Name: diethyl-[2-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl-(2-methoxyethylthiocarbamoyl)amino]ethyl]ammonium Formula: C22H35N4O2S+ MolecularWeight: 419.6039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O2S/c1-6-25(7-2)9-10-26(22(29)23-8-11-28-5)15-19-14-18-12-16(3)17(4)13-20(18)24-21(19)27/h12-14H,6-11,15H2,1-5H3,(H,23,29)(H,24,27)/p+1