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

Systemtic Name: methyl 4-[2-[1-(4-ethoxyphenyl)-5-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[3-benzyl-1-(4-ethoxyphenyl)-5-oxo-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[1-(4-ethoxyphenyl)-5-oxo-3-(phenylmethyl)-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-benzyl-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-(3-benzyl-5-keto-1-p-phenetyl-2-thioxo-imidazolidin-4-yl)acetyl]amino]benzoic acid methyl ester Formula: C28H27N3O5S MolecularWeight: 517.59608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(N(C2=S)CC3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C(N(C2=S)CC3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C28H27N3O5S/c1-3-36-23-15-13-22(14-16-23)31-26(33)24(30(28(31)37)18-19-7-5-4-6-8-19)17-25(32)29-21-11-9-20(10-12-21)27(34)35-2/h4-16,24H,3,17-18H2,1-2H3,(H,29,32)