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

Systemtic Name: ethyl 4-[2-[1-ethyl-5-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(3-benzyl-1-ethyl-5-oxo-2-thioxo-imidazolidin-4-yl)acetyl]amino]benzoate CAS Name: 4-[[2-[1-ethyl-5-oxo-3-(phenylmethyl)-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-benzyl-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-benzyl-1-ethyl-5-keto-2-thioxo-imidazolidin-4-yl)acetyl]amino]benzoic acid ethyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(N(C1=S)CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCN1C(=O)C(N(C1=S)CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C23H25N3O4S/c1-3-25-21(28)19(26(23(25)31)15-16-8-6-5-7-9-16)14-20(27)24-18-12-10-17(11-13-18)22(29)30-4-2/h5-13,19H,3-4,14-15H2,1-2H3,(H,24,27)