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

Systemtic Name: ethyl 4-[2-[5-oxidanylidene-1-phenethyl-3-(3-phenylpropyl)-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[5-oxo-1-phenethyl-3-(3-phenylpropyl)-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[5-oxo-1-phenethyl-3-(3-phenylpropyl)-2-sulfanylidene-4-imidazolidinyl]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[5-oxo-1-phenethyl-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[5-keto-1-phenethyl-3-(3-phenylpropyl)-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid ethyl ester Formula: C31H33N3O4S MolecularWeight: 543.67642

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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)CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C31H33N3O4S/c1-2-38-30(37)25-15-17-26(18-16-25)32-28(35)22-27-29(36)34(21-19-24-12-7-4-8-13-24)31(39)33(27)20-9-14-23-10-5-3-6-11-23/h3-8,10-13,15-18,27H,2,9,14,19-22H2,1H3,(H,32,35)