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

Systemtic Name: methyl 4-[2-[1-(4-ethoxycarbonylphenyl)-3-heptyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[1-(4-ethoxycarbonylphenyl)-3-heptyl-5-oxo-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[1-(4-ethoxycarbonylphenyl)-3-heptyl-5-oxo-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[1-(4-ethoxycarbonylphenyl)-3-heptyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[1-(4-carbethoxyphenyl)-3-heptyl-5-keto-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid methyl ester Formula: C29H35N3O6S MolecularWeight: 553.6697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H35N3O6S/c1-4-6-7-8-9-18-31-24(19-25(33)30-22-14-10-20(11-15-22)27(35)37-3)26(34)32(29(31)39)23-16-12-21(13-17-23)28(36)38-5-2/h10-17,24H,4-9,18-19H2,1-3H3,(H,30,33)