2-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(furan-2-ylmethylcarbamothioyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(furan-2-ylmethylcarbamothioyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-(2-furylmethylcarbamothioyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(2-furanylmethylamino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethylcarbamothioyl)amino]ethyl-dimethylazanium Traditional Name: 2-[2-furfurylthiocarbamoyl-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=CC2=CC(=C(C=C2NC1=O)OC)OC)C(=S)NCC3=CC=CO3

Isomeric SMILES

C[NH+](C)CCN(CC1=CC2=CC(=C(C=C2NC1=O)OC)OC)C(=S)NCC3=CC=CO3

InChI

InChI=1S/C22H28N4O4S/c1-25(2)7-8-26(22(31)23-13-17-6-5-9-30-17)14-16-10-15-11-19(28-3)20(29-4)12-18(15)24-21(16)27/h5-6,9-12H,7-8,13-14H2,1-4H3,(H,23,31)(H,24,27)/p+1