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

Systemtic Name: methyl 4-[2-[5-oxidanylidene-1-phenethyl-3-(3-phenylpropyl)-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C30H31N3O4S MolecularWeight: 529.64984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H31N3O4S/c1-37-29(36)24-14-16-25(17-15-24)31-27(34)21-26-28(35)33(20-18-23-11-6-3-7-12-23)30(38)32(26)19-8-13-22-9-4-2-5-10-22/h2-7,9-12,14-17,26H,8,13,18-21H2,1H3,(H,31,34)