dimethyl-[3-[[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(phenylmethyl)carbamothioyl]amino]propyl]azanium

Systemtic Name: dimethyl-[3-[[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(phenylmethyl)carbamothioyl]amino]propyl]azanium Openeye Name: 3-[[benzyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[[[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylmethyl)amino]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: 3-[[benzyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[benzyl-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C24H31N4OS+ MolecularWeight: 423.59414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3=CC=CC=C3)C(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3=CC=CC=C3)C(=S)NCCC[NH+](C)C

InChI

InChI=1S/C24H30N4OS/c1-18-9-7-12-20-15-21(23(29)26-22(18)20)17-28(16-19-10-5-4-6-11-19)24(30)25-13-8-14-27(2)3/h4-7,9-12,15H,8,13-14,16-17H2,1-3H3,(H,25,30)(H,26,29)/p+1