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

Systemtic Name: 2-[furan-2-ylmethylcarbamothioyl-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[2-furylmethylcarbamothioyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2-furanylmethylamino)-sulfanylidenemethyl]-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[furan-2-ylmethylcarbamothioyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[2-furfurylthiocarbamoyl-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC[NH+](C)C)C(=S)NCC3=CC=CO3

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC[NH+](C)C)C(=S)NCC3=CC=CO3

InChI

InChI=1S/C21H26N4O2S/c1-15-6-7-16-12-17(20(26)23-19(16)11-15)14-25(9-8-24(2)3)21(28)22-13-18-5-4-10-27-18/h4-7,10-12H,8-9,13-14H2,1-3H3,(H,22,28)(H,23,26)/p+1