3-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(furan-2-ylmethylcarbamothioyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(furan-2-ylmethylcarbamothioyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-furylmethylcarbamothioyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(2-furanylmethylamino)-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethylcarbamothioyl)amino]propyl-dimethylazanium Traditional Name: 3-[2-furfurylthiocarbamoyl-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-ammonium Formula: C23H31N4O2S+ MolecularWeight: 427.58284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CCC[NH+](C)C)C(=S)NCC3=CC=CO3)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CCC[NH+](C)C)C(=S)NCC3=CC=CO3)C

InChI

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