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

Systemtic Name: methyl 4-[2-[5-oxidanylidene-1-phenethyl-3-(phenylmethyl)-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(3-benzyl-5-oxo-1-phenethyl-2-thioxo-imidazolidin-4-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[5-oxo-1-phenethyl-3-(phenylmethyl)-2-sulfanylidene-4-imidazolidinyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-benzyl-5-oxo-1-phenethyl-2-sulfanylideneimidazolidin-4-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-benzyl-5-keto-1-phenethyl-2-thioxo-imidazolidin-4-yl)acetyl]amino]benzoic acid methyl ester Formula: C28H27N3O4S MolecularWeight: 501.59668

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C28H27N3O4S/c1-35-27(34)22-12-14-23(15-13-22)29-25(32)18-24-26(33)30(17-16-20-8-4-2-5-9-20)28(36)31(24)19-21-10-6-3-7-11-21/h2-15,24H,16-19H2,1H3,(H,29,32)