ethyl 4-[2-[1-ethyl-5-oxidanylidene-3-(pyridin-4-ylcarbonylamino)-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[1-ethyl-5-oxidanylidene-3-(pyridin-4-ylcarbonylamino)-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[1-ethyl-5-oxo-3-(pyridine-4-carbonylamino)-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[1-ethyl-5-oxo-3-[[oxo(pyridin-4-yl)methyl]amino]-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-ethyl-5-oxo-3-(pyridine-4-carbonylamino)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-(1-ethyl-3-isonicotinamido-5-keto-2-thioxo-imidazolidin-4-yl)acetyl]amino]benzoic acid ethyl ester Formula: C22H23N5O5S MolecularWeight: 469.51352

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(N(C1=S)NC(=O)C2=CC=NC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCN1C(=O)C(N(C1=S)NC(=O)C2=CC=NC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C22H23N5O5S/c1-3-26-20(30)17(27(22(26)33)25-19(29)14-9-11-23-12-10-14)13-18(28)24-16-7-5-15(6-8-16)21(31)32-4-2/h5-12,17H,3-4,13H2,1-2H3,(H,24,28)(H,25,29)