2-[(4-methoxyphenyl)carbamothioyl-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-methoxyphenyl)carbamothioyl-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-methoxyphenyl)carbamothioyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-methoxyanilino)-sulfanylidenemethyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-methoxyphenyl)carbamothioyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)thiocarbamoyl]amino]ethyl-dimethyl-ammonium Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H28N4O2S/c1-16-6-5-7-17-14-18(22(28)25-21(16)17)15-27(13-12-26(2)3)23(30)24-19-8-10-20(29-4)11-9-19/h5-11,14H,12-13,15H2,1-4H3,(H,24,30)(H,25,28)/p+1