2-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-methylphenyl)carbamothioyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-methylphenyl)carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-(p-tolylcarbamothioyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methylanilino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methylphenyl)carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl-(p-tolylthiocarbamoyl)amino]ethyl-dimethyl-ammonium Formula: C24H31N4O2S+ MolecularWeight: 439.59354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NC3=CC=C(C=C3)C

InChI

InChI=1S/C24H30N4O2S/c1-5-30-21-10-11-22-18(15-21)14-19(23(29)26-22)16-28(13-12-27(3)4)24(31)25-20-8-6-17(2)7-9-20/h6-11,14-15H,5,12-13,16H2,1-4H3,(H,25,31)(H,26,29)/p+1