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

Systemtic Name: ethyl 4-[2-[3-(hexanoylamino)-1-(4-methoxyphenyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-(hexanoylamino)-1-(4-methoxyphenyl)-5-oxo-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[1-(4-methoxyphenyl)-5-oxo-3-(1-oxohexylamino)-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-(hexanoylamino)-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[3-(caproylamino)-5-keto-1-(4-methoxyphenyl)-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid ethyl ester Formula: C27H32N4O6S MolecularWeight: 540.63118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NN1C(C(=O)N(C1=S)C2=CC=C(C=C2)OC)CC(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCCCC(=O)NN1C(C(=O)N(C1=S)C2=CC=C(C=C2)OC)CC(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C27H32N4O6S/c1-4-6-7-8-23(32)29-31-22(25(34)30(27(31)38)20-13-15-21(36-3)16-14-20)17-24(33)28-19-11-9-18(10-12-19)26(35)37-5-2/h9-16,22H,4-8,17H2,1-3H3,(H,28,33)(H,29,32)