2-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(2-methoxycarbonylphenyl)carbamothioyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(2-methoxycarbonylphenyl)carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(2-methoxycarbonylphenyl)carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(2-methoxycarbonylanilino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(2-methoxycarbonylphenyl)carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(2-carbomethoxyphenyl)thiocarbamoyl-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C25H31N4O3S+ MolecularWeight: 467.60364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC[NH+](C)C)C(=S)NC3=CC=CC=C3C(=O)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC[NH+](C)C)C(=S)NC3=CC=CC=C3C(=O)OC)C

InChI

InChI=1S/C25H30N4O3S/c1-16-10-11-18-14-19(23(30)27-22(18)17(16)2)15-29(13-12-28(3)4)25(33)26-21-9-7-6-8-20(21)24(31)32-5/h6-11,14H,12-13,15H2,1-5H3,(H,26,33)(H,27,30)/p+1