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

Systemtic Name: 3-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(3-methylphenyl)carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(m-tolylcarbamothioyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(3-methylanilino)-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(3-methylphenyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl-(m-tolylthiocarbamoyl)amino]propyl-dimethyl-ammonium Formula: C24H31N4O2S+ MolecularWeight: 439.59354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N(CCC[NH+](C)C)CC2=CC3=C(C=CC(=C3)OC)NC2=O

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N(CCC[NH+](C)C)CC2=CC3=C(C=CC(=C3)OC)NC2=O

InChI

InChI=1S/C24H30N4O2S/c1-17-7-5-8-20(13-17)25-24(31)28(12-6-11-27(2)3)16-19-14-18-15-21(30-4)9-10-22(18)26-23(19)29/h5,7-10,13-15H,6,11-12,16H2,1-4H3,(H,25,31)(H,26,29)/p+1