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

Systemtic Name: 2-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(2-ethylphenyl)carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(2-ethylphenyl)carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(2-ethylanilino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(2-ethylphenyl)carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(2-ethylphenyl)thiocarbamoyl-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C25H33N4OS+ MolecularWeight: 437.62072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(CC[NH+](C)C)CC2=CC3=CC(=C(C=C3NC2=O)C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(CC[NH+](C)C)CC2=CC3=CC(=C(C=C3NC2=O)C)C

InChI

InChI=1S/C25H32N4OS/c1-6-19-9-7-8-10-22(19)27-25(31)29(12-11-28(4)5)16-21-15-20-13-17(2)18(3)14-23(20)26-24(21)30/h7-10,13-15H,6,11-12,16H2,1-5H3,(H,26,30)(H,27,31)/p+1