methyl 4-[2-[(4R)-3-(3-morpholin-4-ylpropyl)-5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(4R)-3-(3-morpholin-4-ylpropyl)-5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(4R)-3-(3-morpholinopropyl)-5-oxo-1-phenyl-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4R)-3-[3-(4-morpholinyl)propyl]-5-oxo-1-phenyl-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4R)-3-(3-morpholin-4-ylpropyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4R)-5-keto-3-(3-morpholinopropyl)-1-phenyl-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid methyl ester Formula: C26H30N4O5S MolecularWeight: 510.6052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C[C@@H]2C(=O)N(C(=S)N2CCCN3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C26H30N4O5S/c1-34-25(33)19-8-10-20(11-9-19)27-23(31)18-22-24(32)30(21-6-3-2-4-7-21)26(36)29(22)13-5-12-28-14-16-35-17-15-28/h2-4,6-11,22H,5,12-18H2,1H3,(H,27,31)/t22-/m1/s1