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

Systemtic Name: 3-[[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-pyridylmethyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl-(3-pyridylmethyl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C24H32N5O2S+ MolecularWeight: 454.60818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CN=CC=C3)C(=S)NCCC[NH+](C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CN=CC=C3)C(=S)NCCC[NH+](C)C

InChI

InChI=1S/C24H31N5O2S/c1-4-31-21-8-9-22-19(14-21)13-20(23(30)27-22)17-29(16-18-7-5-10-25-15-18)24(32)26-11-6-12-28(2)3/h5,7-10,13-15H,4,6,11-12,16-17H2,1-3H3,(H,26,32)(H,27,30)/p+1