2-[(4-ethylphenyl)carbamothioyl-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-ethylphenyl)carbamothioyl-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-ethylphenyl)carbamothioyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-ethylanilino)-sulfanylidenemethyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-ethylphenyl)carbamothioyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(4-ethylphenyl)thiocarbamoyl-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C24H31N4OS+ MolecularWeight: 423.59414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N(CC[NH+](C)C)CC2=CC3=C(C(=CC=C3)C)NC2=O

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N(CC[NH+](C)C)CC2=CC3=C(C(=CC=C3)C)NC2=O

InChI

InChI=1S/C24H30N4OS/c1-5-18-9-11-21(12-10-18)25-24(30)28(14-13-27(3)4)16-20-15-19-8-6-7-17(2)22(19)26-23(20)29/h6-12,15H,5,13-14,16H2,1-4H3,(H,25,30)(H,26,29)/p+1