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

Systemtic Name: ethyl 4-[2-[3-heptyl-1-(4-methoxyphenyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-heptyl-1-(4-methoxyphenyl)-5-oxo-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[3-heptyl-1-(4-methoxyphenyl)-5-oxo-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-heptyl-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[3-heptyl-5-keto-1-(4-methoxyphenyl)-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid ethyl ester Formula: C28H35N3O5S MolecularWeight: 525.6596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(C(=O)N(C1=S)C2=CC=C(C=C2)OC)CC(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCCCCCN1C(C(=O)N(C1=S)C2=CC=C(C=C2)OC)CC(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C28H35N3O5S/c1-4-6-7-8-9-18-30-24(26(33)31(28(30)37)22-14-16-23(35-3)17-15-22)19-25(32)29-21-12-10-20(11-13-21)27(34)36-5-2/h10-17,24H,4-9,18-19H2,1-3H3,(H,29,32)