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

Systemtic Name: ethyl 4-[2-[3-(4-oxidanylbutanoylamino)-5-oxidanylidene-1-(phenylmethyl)-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[1-benzyl-3-(4-hydroxybutanoylamino)-5-oxo-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[3-[(4-hydroxy-1-oxobutyl)amino]-5-oxo-1-(phenylmethyl)-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-benzyl-3-(4-hydroxybutanoylamino)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[1-benzyl-3-(4-hydroxybutanoylamino)-5-keto-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid ethyl ester Formula: C25H28N4O6S MolecularWeight: 512.57802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2NC(=O)CCCO)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2NC(=O)CCCO)CC3=CC=CC=C3

InChI

InChI=1S/C25H28N4O6S/c1-2-35-24(34)18-10-12-19(13-11-18)26-22(32)15-20-23(33)28(16-17-7-4-3-5-8-17)25(36)29(20)27-21(31)9-6-14-30/h3-5,7-8,10-13,20,30H,2,6,9,14-16H2,1H3,(H,26,32)(H,27,31)