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

Systemtic Name: methyl 4-[2-[5-oxidanylidene-1,3-bis(phenylmethyl)-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C27H25N3O4S MolecularWeight: 487.5701

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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)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O4S/c1-34-26(33)21-12-14-22(15-13-21)28-24(31)16-23-25(32)30(18-20-10-6-3-7-11-20)27(35)29(23)17-19-8-4-2-5-9-19/h2-15,23H,16-18H2,1H3,(H,28,31)