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

Systemtic Name: 2-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(3-methylphenyl)carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(m-tolylcarbamothioyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[(3-methylanilino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[(3-methylphenyl)carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl-(m-tolylthiocarbamoyl)amino]ethyl-dimethyl-ammonium Formula: C24H31N4OS+ MolecularWeight: 423.59414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NC3=CC=CC(=C3)C

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NC3=CC=CC(=C3)C

InChI

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