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

Systemtic Name: ethyl 4-[2-[1-(4-ethoxycarbonylphenyl)-5-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-benzyl-1-(4-ethoxycarbonylphenyl)-5-oxo-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[1-(4-ethoxycarbonylphenyl)-5-oxo-3-(phenylmethyl)-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-benzyl-1-(4-ethoxycarbonylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[3-benzyl-1-(4-carbethoxyphenyl)-5-keto-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid ethyl ester Formula: C30H29N3O6S MolecularWeight: 559.63276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OCC

InChI

InChI=1S/C30H29N3O6S/c1-3-38-28(36)21-10-14-23(15-11-21)31-26(34)18-25-27(35)33(24-16-12-22(13-17-24)29(37)39-4-2)30(40)32(25)19-20-8-6-5-7-9-20/h5-17,25H,3-4,18-19H2,1-2H3,(H,31,34)