ethyl 4-[(4-methylpiperazin-4-ium-1-yl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(4-methylpiperazin-4-ium-1-yl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(4-methylpiperazin-4-ium-1-yl)carbamothioylamino]benzoate CAS Name: 4-[[[(4-methyl-1-piperazin-4-iumyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-methylpiperazin-4-ium-1-yl)carbamothioylamino]benzoate Traditional Name: 4-[(4-methylpiperazin-4-ium-1-yl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C15H23N4O2S+ MolecularWeight: 323.43372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NN2CC[NH+](CC2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NN2CC[NH+](CC2)C

InChI

InChI=1S/C15H22N4O2S/c1-3-21-14(20)12-4-6-13(7-5-12)16-15(22)17-19-10-8-18(2)9-11-19/h4-7H,3,8-11H2,1-2H3,(H2,16,17,22)/p+1