3-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[[(1S)-1-phenylethyl]carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[[(1S)-1-phenylethyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[[(1S)-1-phenylethyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[[[(1S)-1-phenylethyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[[(1S)-1-phenylethyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl-[[(1S)-1-phenylethyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C26H35N4O3S+ MolecularWeight: 483.6461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=S)N(CCC[NH+](C)C)CC2=CC3=CC(=C(C=C3NC2=O)OC)OC

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=S)N(CCC[NH+](C)C)CC2=CC3=CC(=C(C=C3NC2=O)OC)OC

InChI

InChI=1S/C26H34N4O3S/c1-18(19-10-7-6-8-11-19)27-26(34)30(13-9-12-29(2)3)17-21-14-20-15-23(32-4)24(33-5)16-22(20)28-25(21)31/h6-8,10-11,14-16,18H,9,12-13,17H2,1-5H3,(H,27,34)(H,28,31)/p+1/t18-/m0/s1