3-[4-methyl-5-oxidanylidene-3-(4-phenylmethoxyphenyl)-4-propyl-2-sulfanylidene-imidazolidin-1-yl]benzoic acid

Systemtic Name: 3-[4-methyl-5-oxidanylidene-3-(4-phenylmethoxyphenyl)-4-propyl-2-sulfanylidene-imidazolidin-1-yl]benzoic acid Openeye Name: 3-[3-(4-benzyloxyphenyl)-4-methyl-5-oxo-4-propyl-2-thioxo-imidazolidin-1-yl]benzoic acid CAS Name: 3-[4-methyl-5-oxo-3-(4-phenylmethoxyphenyl)-4-propyl-2-sulfanylidene-1-imidazolidinyl]benzoic acid IUPAC Name: 3-[4-methyl-5-oxo-3-(4-phenylmethoxyphenyl)-4-propyl-2-sulfanylideneimidazolidin-1-yl]benzoic acid Traditional Name: 3-[3-(4-benzoxyphenyl)-5-keto-4-methyl-4-propyl-2-thioxo-imidazolidin-1-yl]benzoic acid Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=O)N(C(=S)N1C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC(=C4)C(=O)O)C

Isomeric SMILES

CCCC1(C(=O)N(C(=S)N1C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC(=C4)C(=O)O)C

InChI

InChI=1S/C27H26N2O4S/c1-3-16-27(2)25(32)28(22-11-7-10-20(17-22)24(30)31)26(34)29(27)21-12-14-23(15-13-21)33-18-19-8-5-4-6-9-19/h4-15,17H,3,16,18H2,1-2H3,(H,30,31)