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

Systemtic Name: methyl 4-[2-[(4R)-3-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(4R)-3-(2-morpholin-4-ium-4-ylethyl)-5-oxo-1-phenyl-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4R)-3-[2-(4-morpholin-4-iumyl)ethyl]-5-oxo-1-phenyl-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4R)-3-(2-morpholin-4-ium-4-ylethyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4R)-5-keto-3-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid methyl ester Formula: C25H29N4O5S+ MolecularWeight: 497.58656

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC[NH+]3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C[C@@H]2C(=O)N(C(=S)N2CC[NH+]3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O5S/c1-33-24(32)18-7-9-19(10-8-18)26-22(30)17-21-23(31)29(20-5-3-2-4-6-20)25(35)28(21)12-11-27-13-15-34-16-14-27/h2-10,21H,11-17H2,1H3,(H,26,30)/p+1/t21-/m1/s1