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

Systemtic Name: 3-[[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-oxidanylpropyl)carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-hydroxypropyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-hydroxypropyl)amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-hydroxypropyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl-(3-hydroxypropyl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C21H33N4O3S+ MolecularWeight: 421.57672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O3S/c1-4-28-18-7-8-19-16(14-18)13-17(20(27)23-19)15-25(11-6-12-26)21(29)22-9-5-10-24(2)3/h7-8,13-14,26H,4-6,9-12,15H2,1-3H3,(H,22,29)(H,23,27)/p+1