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

Systemtic Name: methyl 4-[2-[5-oxidanylidene-1-(phenylmethyl)-3-(3-phenylpropyl)-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[1-benzyl-5-oxo-3-(3-phenylpropyl)-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[5-oxo-1-(phenylmethyl)-3-(3-phenylpropyl)-2-sulfanylidene-4-imidazolidinyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[1-benzyl-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[1-benzyl-5-keto-3-(3-phenylpropyl)-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid methyl ester Formula: C29H29N3O4S MolecularWeight: 515.62326

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H29N3O4S/c1-36-28(35)23-14-16-24(17-15-23)30-26(33)19-25-27(34)32(20-22-11-6-3-7-12-22)29(37)31(25)18-8-13-21-9-4-2-5-10-21/h2-7,9-12,14-17,25H,8,13,18-20H2,1H3,(H,30,33)