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

Systemtic Name: methyl 4-[2-[1-(4-ethoxycarbonylphenyl)-5-oxidanylidene-3-(3-phenylpropyl)-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C31H31N3O6S MolecularWeight: 573.65934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCCC3=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)CCCC3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C31H31N3O6S/c1-3-40-30(38)23-13-17-25(18-14-23)34-28(36)26(33(31(34)41)19-7-10-21-8-5-4-6-9-21)20-27(35)32-24-15-11-22(12-16-24)29(37)39-2/h4-6,8-9,11-18,26H,3,7,10,19-20H2,1-2H3,(H,32,35)