dimethyl-[3-[[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(phenylmethyl)carbamothioyl]amino]propyl]azanium

Systemtic Name: dimethyl-[3-[[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(phenylmethyl)carbamothioyl]amino]propyl]azanium Openeye Name: 3-[[benzyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[[[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylmethyl)amino]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: 3-[[benzyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[benzyl-[(2-keto-6-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=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CC=C3)C(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CC=C3)C(=S)NCCC[NH+](C)C

InChI

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