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

Systemtic Name: ethyl 4-[2-[3-[(5-bromanylpyridin-3-yl)carbonylamino]-1-ethyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-[(5-bromopyridine-3-carbonyl)amino]-1-ethyl-5-oxo-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[3-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]-1-ethyl-5-oxo-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-[(5-bromopyridine-3-carbonyl)amino]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[3-[(5-bromonicotinoyl)amino]-1-ethyl-5-keto-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid ethyl ester Formula: C22H22BrN5O5S MolecularWeight: 548.40958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN5O5S/c1-3-27-20(31)17(28(22(27)34)26-19(30)14-9-15(23)12-24-11-14)10-18(29)25-16-7-5-13(6-8-16)21(32)33-4-2/h5-9,11-12,17H,3-4,10H2,1-2H3,(H,25,29)(H,26,30)