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

Systemtic Name: methyl 4-[(4-methylpiperazin-4-ium-1-yl)carbamothioylamino]benzoate Openeye Name: methyl 4-[(4-methylpiperazin-4-ium-1-yl)carbamothioylamino]benzoate CAS Name: 4-[[[(4-methyl-1-piperazin-4-iumyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-methylpiperazin-4-ium-1-yl)carbamothioylamino]benzoate Traditional Name: 4-[(4-methylpiperazin-4-ium-1-yl)thiocarbamoylamino]benzoic acid methyl ester Formula: C14H21N4O2S+ MolecularWeight: 309.40714

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=S)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C14H20N4O2S/c1-17-7-9-18(10-8-17)16-14(21)15-12-5-3-11(4-6-12)13(19)20-2/h3-6H,7-10H2,1-2H3,(H2,15,16,21)/p+1