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

Systemtic Name: diethyl-[2-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-methylpropylcarbamothioyl)amino]ethyl]azanium Openeye Name: diethyl-[2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(isobutylcarbamothioyl)amino]ethyl]ammonium CAS Name: diethyl-[2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[(2-methylpropylamino)-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-methylpropylcarbamothioyl)amino]ethyl]azanium Traditional Name: diethyl-[2-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl-(isobutylthiocarbamoyl)amino]ethyl]ammonium Formula: C23H37N4OS+ MolecularWeight: 417.63108

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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)NCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H36N4OS/c1-6-18-9-10-21-19(13-18)14-20(22(28)25-21)16-27(12-11-26(7-2)8-3)23(29)24-15-17(4)5/h9-10,13-14,17H,6-8,11-12,15-16H2,1-5H3,(H,24,29)(H,25,28)/p+1