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

Systemtic Name: ethyl 4-[2-[1-(4-ethoxycarbonylphenyl)-5-oxidanylidene-3-(3-phenylpropyl)-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[1-(4-ethoxycarbonylphenyl)-5-oxo-3-(3-phenylpropyl)-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[1-(4-ethoxycarbonylphenyl)-5-oxo-3-(3-phenylpropyl)-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-(4-ethoxycarbonylphenyl)-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[1-(4-carbethoxyphenyl)-5-keto-3-(3-phenylpropyl)-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid ethyl ester Formula: C32H33N3O6S MolecularWeight: 587.68592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCC3=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)N2CCCC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OCC

InChI

InChI=1S/C32H33N3O6S/c1-3-40-30(38)23-12-16-25(17-13-23)33-28(36)21-27-29(37)35(26-18-14-24(15-19-26)31(39)41-4-2)32(42)34(27)20-8-11-22-9-6-5-7-10-22/h5-7,9-10,12-19,27H,3-4,8,11,20-21H2,1-2H3,(H,33,36)