diethyl-[2-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)amino]ethyl]azanium

Systemtic Name: diethyl-[2-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)amino]ethyl]azanium Openeye Name: diethyl-[2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)amino]ethyl]ammonium CAS Name: diethyl-[2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[[3-(4-morpholin-4-iumyl)propylamino]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)amino]ethyl]azanium Traditional Name: diethyl-[2-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropylthiocarbamoyl)amino]ethyl]ammonium Formula: C26H43N5O2S+2 MolecularWeight: 489.71692

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](CC)CC)C(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](CC)CC)C(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C26H41N5O2S/c1-4-21-8-9-24-22(18-21)19-23(25(32)28-24)20-31(13-12-29(5-2)6-3)26(34)27-10-7-11-30-14-16-33-17-15-30/h8-9,18-19H,4-7,10-17,20H2,1-3H3,(H,27,34)(H,28,32)/p+2