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

Systemtic Name: diethyl-[3-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(methylcarbamothioyl)amino]propyl]azanium Openeye Name: diethyl-[3-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(methylcarbamothioyl)amino]propyl]ammonium CAS Name: diethyl-[3-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[methylamino(sulfanylidene)methyl]amino]propyl]ammonium IUPAC Name: diethyl-[3-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(methylcarbamothioyl)amino]propyl]azanium Traditional Name: diethyl-[3-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl-(methylthiocarbamoyl)amino]propyl]ammonium Formula: C21H33N4OS+ MolecularWeight: 389.57792

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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)NC

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4OS/c1-5-16-9-10-19-17(13-16)14-18(20(26)23-19)15-25(21(27)22-4)12-8-11-24(6-2)7-3/h9-10,13-14H,5-8,11-12,15H2,1-4H3,(H,22,27)(H,23,26)/p+1