3-[[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-furylmethyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-furanylmethyl)amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-furfuryl-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C23H31N4O2S+ MolecularWeight: 427.58284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=CO3)C(=S)NCCC[NH+](C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=CO3)C(=S)NCCC[NH+](C)C)C

InChI

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