3-[[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methyl]carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-2-oxolanyl]methyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C23H35N4O2S+ MolecularWeight: 431.6146

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3CCCO3)C(=S)NCCC[NH+](C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C[C@H]3CCCO3)C(=S)NCCC[NH+](C)C

InChI

InChI=1S/C23H34N4O2S/c1-4-17-8-9-21-18(13-17)14-19(22(28)25-21)15-27(16-20-7-5-12-29-20)23(30)24-10-6-11-26(2)3/h8-9,13-14,20H,4-7,10-12,15-16H2,1-3H3,(H,24,30)(H,25,28)/p+1/t20-/m1/s1