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

Systemtic Name: ethyl 4-[2-[1-(3-ethoxyphenyl)-5-oxidanylidene-3-(pyridin-2-ylmethyl)-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[1-(3-ethoxyphenyl)-5-oxo-3-(2-pyridylmethyl)-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[1-(3-ethoxyphenyl)-5-oxo-3-(2-pyridinylmethyl)-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-(3-ethoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[5-keto-1-m-phenetyl-3-(2-pyridylmethyl)-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid ethyl ester Formula: C28H28N4O5S MolecularWeight: 532.61072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)N2C(=O)C(N(C2=S)CC3=CC=CC=N3)CC(=O)NC4=CC=C(C=C4)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC(=C1)N2C(=O)C(N(C2=S)CC3=CC=CC=N3)CC(=O)NC4=CC=C(C=C4)C(=O)OCC

InChI

InChI=1S/C28H28N4O5S/c1-3-36-23-10-7-9-22(16-23)32-26(34)24(31(28(32)38)18-21-8-5-6-15-29-21)17-25(33)30-20-13-11-19(12-14-20)27(35)37-4-2/h5-16,24H,3-4,17-18H2,1-2H3,(H,30,33)