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

Systemtic Name: diethyl-[3-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-morpholin-4-ylpropylcarbamothioyl)amino]propyl]azanium Openeye Name: diethyl-[3-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholinopropylcarbamothioyl)amino]propyl]ammonium CAS Name: diethyl-[3-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[[3-(4-morpholinyl)propylamino]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: diethyl-[3-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ylpropylcarbamothioyl)amino]propyl]azanium Traditional Name: diethyl-[3-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl-(3-morpholinopropylthiocarbamoyl)amino]propyl]ammonium Formula: C27H44N5O2S+ MolecularWeight: 502.73556

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCC[NH+](CC)CC)C(=S)NCCCN3CCOCC3

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCC[NH+](CC)CC)C(=S)NCCCN3CCOCC3

InChI

InChI=1S/C27H43N5O2S/c1-4-22-9-10-25-23(19-22)20-24(26(33)29-25)21-32(14-8-13-30(5-2)6-3)27(35)28-11-7-12-31-15-17-34-18-16-31/h9-10,19-20H,4-8,11-18,21H2,1-3H3,(H,28,35)(H,29,33)/p+1