2-[(2,5-dimethylphenyl)carbamothioyl-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2,5-dimethylphenyl)carbamothioyl-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(2,5-dimethylphenyl)carbamothioyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2,5-dimethylanilino)-sulfanylidenemethyl]-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(2,5-dimethylphenyl)carbamothioyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(2,5-dimethylphenyl)thiocarbamoyl-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C24H31N4OS+ MolecularWeight: 423.59414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC[NH+](C)C)C(=S)NC3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC[NH+](C)C)C(=S)NC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C24H30N4OS/c1-16-6-8-18(3)21(12-16)26-24(30)28(11-10-27(4)5)15-20-14-19-9-7-17(2)13-22(19)25-23(20)29/h6-9,12-14H,10-11,15H2,1-5H3,(H,25,29)(H,26,30)/p+1