2-(4-methylpiperazin-1-yl)ethyl 3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoate

Systemtic Name: 2-(4-methylpiperazin-1-yl)ethyl 3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoate Openeye Name: 2-(4-methylpiperazin-1-yl)ethyl 3-(2-thioxo-1,3-dihydroimidazol-4-yl)propanoate CAS Name: 3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoic acid 2-(4-methyl-1-piperazinyl)ethyl ester IUPAC Name: 2-(4-methylpiperazin-1-yl)ethyl 3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoate Traditional Name: 3-(2-thioxo-4-imidazolin-4-yl)propionic acid 2-(4-methylpiperazino)ethyl ester Formula: C13H22N4O2S MolecularWeight: 298.40438

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCOC(=O)CCC2=CNC(=S)N2

Isomeric SMILES

CN1CCN(CC1)CCOC(=O)CCC2=CNC(=S)N2

InChI

InChI=1S/C13H22N4O2S/c1-16-4-6-17(7-5-16)8-9-19-12(18)3-2-11-10-14-13(20)15-11/h10H,2-9H2,1H3,(H2,14,15,20)