ethyl 4-[3-(4-methylpiperazine-1,4-diium-1-yl)propylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[3-(4-methylpiperazine-1,4-diium-1-yl)propylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[3-(4-methylpiperazine-1,4-diium-1-yl)propylcarbamothioylamino]benzoate CAS Name: 4-[[[3-(4-methyl-1-piperazine-1,4-diiumyl)propylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-methylpiperazine-1,4-diium-1-yl)propylcarbamothioylamino]benzoate Traditional Name: 4-[3-(4-methylpiperazine-1,4-diium-1-yl)propylthiocarbamoylamino]benzoic acid ethyl ester Formula: C18H30N4O2S+2 MolecularWeight: 366.5214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCC[NH+]2CC[NH+](CC2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCC[NH+]2CC[NH+](CC2)C

InChI

InChI=1S/C18H28N4O2S/c1-3-24-17(23)15-5-7-16(8-6-15)20-18(25)19-9-4-10-22-13-11-21(2)12-14-22/h5-8H,3-4,9-14H2,1-2H3,(H2,19,20,25)/p+2