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

Systemtic Name: ethyl 4-[2-[1-(4-ethoxycarbonylphenyl)-5-oxidanylidene-3-phenethyl-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[1-(4-ethoxycarbonylphenyl)-5-oxo-3-phenethyl-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[1-(4-ethoxycarbonylphenyl)-5-oxo-3-phenethyl-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-(4-ethoxycarbonylphenyl)-5-oxo-3-phenethyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[1-(4-carbethoxyphenyl)-5-keto-3-phenethyl-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid ethyl ester Formula: C31H31N3O6S MolecularWeight: 573.65934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCC3=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)N2CCC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OCC

InChI

InChI=1S/C31H31N3O6S/c1-3-39-29(37)22-10-14-24(15-11-22)32-27(35)20-26-28(36)34(25-16-12-23(13-17-25)30(38)40-4-2)31(41)33(26)19-18-21-8-6-5-7-9-21/h5-17,26H,3-4,18-20H2,1-2H3,(H,32,35)