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

Systemtic Name: methyl 4-[2-(3-benzamido-1-ethyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(3-benzamido-1-ethyl-5-oxo-2-thioxo-imidazolidin-4-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(3-benzamido-1-ethyl-5-oxo-2-sulfanylidene-4-imidazolidinyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-benzamido-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-benzamido-1-ethyl-5-keto-2-thioxo-imidazolidin-4-yl)acetyl]amino]benzoic acid methyl ester Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(N(C1=S)NC(=O)C2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN1C(=O)C(N(C1=S)NC(=O)C2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H22N4O5S/c1-3-25-20(29)17(26(22(25)32)24-19(28)14-7-5-4-6-8-14)13-18(27)23-16-11-9-15(10-12-16)21(30)31-2/h4-12,17H,3,13H2,1-2H3,(H,23,27)(H,24,28)