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

Systemtic Name: 3-[[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-furylmethyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-furanylmethyl)amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl-(2-furfuryl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C23H31N4O2S+ MolecularWeight: 427.58284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CO3)C(=S)NCCC[NH+](C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CO3)C(=S)NCCC[NH+](C)C

InChI

InChI=1S/C23H30N4O2S/c1-4-17-8-9-21-18(13-17)14-19(22(28)25-21)15-27(16-20-7-5-12-29-20)23(30)24-10-6-11-26(2)3/h5,7-9,12-14H,4,6,10-11,15-16H2,1-3H3,(H,24,30)(H,25,28)/p+1