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

Systemtic Name: 2-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(furan-2-ylmethylcarbamothioyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-furylmethylcarbamothioyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(2-furanylmethylamino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethylcarbamothioyl)amino]ethyl-dimethylazanium Traditional Name: 2-[2-furfurylthiocarbamoyl-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC[NH+](C)C)C(=S)NCC3=CC=CO3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC[NH+](C)C)C(=S)NCC3=CC=CO3)C

InChI

InChI=1S/C22H28N4O2S/c1-15-10-17-12-18(21(27)24-20(17)11-16(15)2)14-26(8-7-25(3)4)22(29)23-13-19-6-5-9-28-19/h5-6,9-12H,7-8,13-14H2,1-4H3,(H,23,29)(H,24,27)/p+1