methyl 3-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioylamino]propanoate

Systemtic Name: methyl 3-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioylamino]propanoate Openeye Name: methyl 3-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioylamino]propanoate CAS Name: 3-[[[4-(4-methyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioylamino]propanoate Traditional Name: 3-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiocarbamoylamino]propionic acid methyl ester Formula: C16H25N4O2S+ MolecularWeight: 337.4603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O2S/c1-19-9-11-20(12-10-19)14-5-3-13(4-6-14)18-16(23)17-8-7-15(21)22-2/h3-6H,7-12H2,1-2H3,(H2,17,18,23)/p+1