3-[[2-(diethylazaniumyl)ethyl-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-diethyl-azanium

Systemtic Name: 3-[[2-(diethylazaniumyl)ethyl-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-diethyl-azanium Openeye Name: 3-[[2-(diethylammonio)ethyl-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[[2-(diethylammonio)ethyl-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[2-(diethylazaniumyl)ethyl-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-diethylazanium Traditional Name: 3-[[2-(diethylammonio)ethyl-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]propyl-diethyl-ammonium Formula: C26H45N5OS+2 MolecularWeight: 475.7334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H43N5OS/c1-6-21-12-13-24-22(18-21)19-23(25(32)28-24)20-31(17-16-30(9-4)10-5)26(33)27-14-11-15-29(7-2)8-3/h12-13,18-19H,6-11,14-17,20H2,1-5H3,(H,27,33)(H,28,32)/p+2