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

Systemtic Name: 2-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(3-methylphenyl)carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-(m-tolylcarbamothioyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(3-methylanilino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(3-methylphenyl)carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl-(m-tolylthiocarbamoyl)amino]ethyl-dimethyl-ammonium Formula: C24H31N4O3S+ MolecularWeight: 455.59294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N(CC[NH+](C)C)CC2=CC3=CC(=C(C=C3NC2=O)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N(CC[NH+](C)C)CC2=CC3=CC(=C(C=C3NC2=O)OC)OC

InChI

InChI=1S/C24H30N4O3S/c1-16-7-6-8-19(11-16)25-24(32)28(10-9-27(2)3)15-18-12-17-13-21(30-4)22(31-5)14-20(17)26-23(18)29/h6-8,11-14H,9-10,15H2,1-5H3,(H,25,32)(H,26,29)/p+1