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

Systemtic Name: dimethyl-[2-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[[(1R)-1-phenylethyl]carbamothioyl]amino]ethyl]azanium Openeye Name: dimethyl-[2-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-[[(1R)-1-phenylethyl]carbamothioyl]amino]ethyl]ammonium CAS Name: dimethyl-[2-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-[[[(1R)-1-phenylethyl]amino]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-[[(1R)-1-phenylethyl]carbamothioyl]amino]ethyl]azanium Traditional Name: 2-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl-[[(1R)-1-phenylethyl]thiocarbamoyl]amino]ethyl-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(CC[NH+](C)C)C(=S)NC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)N[C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C24H30N4OS/c1-17-9-8-12-20-15-21(23(29)26-22(17)20)16-28(14-13-27(3)4)24(30)25-18(2)19-10-6-5-7-11-19/h5-12,15,18H,13-14,16H2,1-4H3,(H,25,30)(H,26,29)/p+1/t18-/m1/s1