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

Systemtic Name: ethyl 4-[2-[1-(4-ethoxyphenyl)-5-oxidanylidene-3-phenethyl-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[1-(4-ethoxyphenyl)-5-oxo-3-phenethyl-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[1-(4-ethoxyphenyl)-5-oxo-3-phenethyl-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-(4-ethoxyphenyl)-5-oxo-3-phenethyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-(5-keto-3-phenethyl-1-p-phenetyl-2-thioxo-imidazolidin-4-yl)acetyl]amino]benzoic acid ethyl ester Formula: C30H31N3O5S MolecularWeight: 545.64924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCC3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCC3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)C(=O)OCC

InChI

InChI=1S/C30H31N3O5S/c1-3-37-25-16-14-24(15-17-25)33-28(35)26(32(30(33)39)19-18-21-8-6-5-7-9-21)20-27(34)31-23-12-10-22(11-13-23)29(36)38-4-2/h5-17,26H,3-4,18-20H2,1-2H3,(H,31,34)