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

Systemtic Name: diethyl-[2-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-methoxypropylcarbamothioyl)amino]ethyl]azanium Openeye Name: diethyl-[2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-methoxypropylcarbamothioyl)amino]ethyl]ammonium CAS Name: diethyl-[2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[(3-methoxypropylamino)-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-methoxypropylcarbamothioyl)amino]ethyl]azanium Traditional Name: diethyl-[2-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl-(3-methoxypropylthiocarbamoyl)amino]ethyl]ammonium Formula: C23H37N4O2S+ MolecularWeight: 433.63048

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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)NCCCOC

Isomeric SMILES

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

InChI

InChI=1S/C23H36N4O2S/c1-5-18-9-10-21-19(15-18)16-20(22(28)25-21)17-27(13-12-26(6-2)7-3)23(30)24-11-8-14-29-4/h9-10,15-16H,5-8,11-14,17H2,1-4H3,(H,24,30)(H,25,28)/p+1