ethyl 4-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propylcarbamothioylamino]benzoate CAS Name: 4-[[[3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propylcarbamothioylamino]benzoate Traditional Name: 4-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propylthiocarbamoylamino]benzoic acid ethyl ester Formula: C24H33N4O3S+ MolecularWeight: 457.60882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCC[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCC[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C24H32N4O3S/c1-3-31-23(29)19-5-7-20(8-6-19)26-24(32)25-13-4-14-27-15-17-28(18-16-27)21-9-11-22(30-2)12-10-21/h5-12H,3-4,13-18H2,1-2H3,(H2,25,26,32)/p+1