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

Systemtic Name: ethyl 4-[3-(4-propylpiperazine-1,4-diium-1-yl)propylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[3-(4-propylpiperazine-1,4-diium-1-yl)propylcarbamothioylamino]benzoate CAS Name: 4-[[[3-(4-propyl-1-piperazine-1,4-diiumyl)propylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-propylpiperazine-1,4-diium-1-yl)propylcarbamothioylamino]benzoate Traditional Name: 4-[3-(4-propylpiperazine-1,4-diium-1-yl)propylthiocarbamoylamino]benzoic acid ethyl ester Formula: C20H34N4O2S+2 MolecularWeight: 394.57456

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CC[NH+](CC1)CCCNC(=S)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCC[NH+]1CC[NH+](CC1)CCCNC(=S)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C20H32N4O2S/c1-3-11-23-13-15-24(16-14-23)12-5-10-21-20(27)22-18-8-6-17(7-9-18)19(25)26-4-2/h6-9H,3-5,10-16H2,1-2H3,(H2,21,22,27)/p+2