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

Systemtic Name: ethyl 4-[2-[5-oxidanylidene-1-(phenylmethyl)-3-(3-phenylpropyl)-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[1-benzyl-5-oxo-3-(3-phenylpropyl)-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[5-oxo-1-(phenylmethyl)-3-(3-phenylpropyl)-2-sulfanylidene-4-imidazolidinyl]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-benzyl-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[1-benzyl-5-keto-3-(3-phenylpropyl)-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid ethyl ester Formula: C30H31N3O4S MolecularWeight: 529.64984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C30H31N3O4S/c1-2-37-29(36)24-15-17-25(18-16-24)31-27(34)20-26-28(35)33(21-23-12-7-4-8-13-23)30(38)32(26)19-9-14-22-10-5-3-6-11-22/h3-8,10-13,15-18,26H,2,9,14,19-21H2,1H3,(H,31,34)