ethyl 4-[2-[5-oxidanylidene-1,3-bis(phenylmethyl)-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C28H27N3O4S/c1-2-35-27(34)22-13-15-23(16-14-22)29-25(32)17-24-26(33)31(19-21-11-7-4-8-12-21)28(36)30(24)18-20-9-5-3-6-10-20/h3-16,24H,2,17-19H2,1H3,(H,29,32)