methyl 4-[2-(2-sulfanylideneimidazolidin-1-yl)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(2-sulfanylideneimidazolidin-1-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(2-thioxoimidazolidin-1-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(2-sulfanylidene-1-imidazolidinyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-sulfanylideneimidazolidin-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(2-thioxoimidazolidin-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCNC2=S

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCNC2=S

InChI

InChI=1S/C13H15N3O3S/c1-19-12(18)9-2-4-10(5-3-9)15-11(17)8-16-7-6-14-13(16)20/h2-5H,6-8H2,1H3,(H,14,20)(H,15,17)