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

Systemtic Name: methyl 4-[2-[1-(4-ethoxycarbonylphenyl)-5-oxidanylidene-3-phenethyl-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C30H29N3O6S MolecularWeight: 559.63276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCC3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCC3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C30H29N3O6S/c1-3-39-29(37)22-11-15-24(16-12-22)33-27(35)25(32(30(33)40)18-17-20-7-5-4-6-8-20)19-26(34)31-23-13-9-21(10-14-23)28(36)38-2/h4-16,25H,3,17-19H2,1-2H3,(H,31,34)