methyl 4-[2-[(4S)-1-ethyl-3-(2-morpholin-4-ylethyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(4S)-1-ethyl-3-(2-morpholin-4-ylethyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(4S)-1-ethyl-3-(2-morpholinoethyl)-5-oxo-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4S)-1-ethyl-3-[2-(4-morpholinyl)ethyl]-5-oxo-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4S)-1-ethyl-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4S)-1-ethyl-5-keto-3-(2-morpholinoethyl)-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid methyl ester Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(N(C1=S)CCN2CCOCC2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN1C(=O)[C@@H](N(C1=S)CCN2CCOCC2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H28N4O5S/c1-3-24-19(27)17(25(21(24)31)9-8-23-10-12-30-13-11-23)14-18(26)22-16-6-4-15(5-7-16)20(28)29-2/h4-7,17H,3,8-14H2,1-2H3,(H,22,26)/t17-/m0/s1