3-[[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C20H31N4O3S+ MolecularWeight: 407.55014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCO)C(=S)NCCC[NH+](C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCO)C(=S)NCCC[NH+](C)C

InChI

InChI=1S/C20H30N4O3S/c1-4-27-17-6-7-18-15(13-17)12-16(19(26)22-18)14-24(10-11-25)20(28)21-8-5-9-23(2)3/h6-7,12-13,25H,4-5,8-11,14H2,1-3H3,(H,21,28)(H,22,26)/p+1