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

Systemtic Name: diethyl-[2-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(phenethylcarbamothioyl)amino]ethyl]azanium Openeye Name: diethyl-[2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(phenethylcarbamothioyl)amino]ethyl]ammonium CAS Name: diethyl-[2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[(phenethylamino)-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(phenethylcarbamothioyl)amino]ethyl]azanium Traditional Name: diethyl-[2-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl-(phenethylthiocarbamoyl)amino]ethyl]ammonium Formula: C27H37N4OS+ MolecularWeight: 465.67388

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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)NCCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](CC)CC)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C27H36N4OS/c1-4-21-12-13-25-23(18-21)19-24(26(32)29-25)20-31(17-16-30(5-2)6-3)27(33)28-15-14-22-10-8-7-9-11-22/h7-13,18-19H,4-6,14-17,20H2,1-3H3,(H,28,33)(H,29,32)/p+1