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

Systemtic Name: diethyl-[2-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-methoxyethylcarbamothioyl)amino]ethyl]azanium Openeye Name: diethyl-[2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-methoxyethylcarbamothioyl)amino]ethyl]ammonium CAS Name: diethyl-[2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[(2-methoxyethylamino)-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-methoxyethylcarbamothioyl)amino]ethyl]azanium Traditional Name: diethyl-[2-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl-(2-methoxyethylthiocarbamoyl)amino]ethyl]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(CC[NH+](CC)CC)C(=S)NCCOC

Isomeric SMILES

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

InChI

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