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

Systemtic Name: 2-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-ethoxypropylcarbamothioyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-ethoxypropylcarbamothioyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(3-ethoxypropylamino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-ethoxypropylcarbamothioyl)amino]ethyl-dimethylazanium Traditional Name: 2-[3-ethoxypropylthiocarbamoyl-[(2-keto-6,8-dimethyl-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C22H35N4O2S+ MolecularWeight: 419.6039

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=S)N(CC[NH+](C)C)CC1=CC2=CC(=CC(=C2NC1=O)C)C

Isomeric SMILES

CCOCCCNC(=S)N(CC[NH+](C)C)CC1=CC2=CC(=CC(=C2NC1=O)C)C

InChI

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