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

Systemtic Name: diethyl-[2-[ethylcarbamothioyl-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl]azanium Openeye Name: diethyl-[2-[ethylcarbamothioyl-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl]ammonium CAS Name: diethyl-[2-[[ethylamino(sulfanylidene)methyl]-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[ethylcarbamothioyl-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl]azanium Traditional Name: diethyl-[2-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl-(ethylthiocarbamoyl)amino]ethyl]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(CC[NH+](CC)CC)C(=S)NCC

Isomeric SMILES

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

InChI

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