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

Systemtic Name: diethyl-[3-[[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)carbamothioyl]amino]propyl]azanium Openeye Name: diethyl-[3-[[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)carbamothioyl]amino]propyl]ammonium CAS Name: diethyl-[3-[[[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)amino]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: diethyl-[3-[[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)carbamothioyl]amino]propyl]azanium Traditional Name: diethyl-[3-[[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)thiocarbamoyl]amino]propyl]ammonium Formula: C22H35N4O2S+ MolecularWeight: 419.6039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O2S/c1-4-17-8-9-20-18(14-17)15-19(21(28)24-20)16-26(12-13-27)22(29)23-10-7-11-25(5-2)6-3/h8-9,14-15,27H,4-7,10-13,16H2,1-3H3,(H,23,29)(H,24,28)/p+1