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

Systemtic Name: ethyl 4-[2-(3-acetamido-1-ethyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(3-acetamido-1-ethyl-5-oxo-2-thioxo-imidazolidin-4-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(3-acetamido-1-ethyl-5-oxo-2-sulfanylidene-4-imidazolidinyl)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-acetamido-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-acetamido-1-ethyl-5-keto-2-thioxo-imidazolidin-4-yl)acetyl]amino]benzoic acid ethyl ester Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(N(C1=S)NC(=O)C)CC(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCN1C(=O)C(N(C1=S)NC(=O)C)CC(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C18H22N4O5S/c1-4-21-16(25)14(22(18(21)28)20-11(3)23)10-15(24)19-13-8-6-12(7-9-13)17(26)27-5-2/h6-9,14H,4-5,10H2,1-3H3,(H,19,24)(H,20,23)