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

Systemtic Name: ethyl 4-[2-[1-ethyl-5-oxidanylidene-3-(3-phenylpropyl)-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[1-ethyl-5-oxo-3-(3-phenylpropyl)-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[1-ethyl-5-oxo-3-(3-phenylpropyl)-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-ethyl-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[1-ethyl-5-keto-3-(3-phenylpropyl)-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid ethyl ester Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(N(C1=S)CCCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCN1C(=O)C(N(C1=S)CCCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C25H29N3O4S/c1-3-27-23(30)21(28(25(27)33)16-8-11-18-9-6-5-7-10-18)17-22(29)26-20-14-12-19(13-15-20)24(31)32-4-2/h5-7,9-10,12-15,21H,3-4,8,11,16-17H2,1-2H3,(H,26,29)