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

Systemtic Name: ethyl 4-[5-oxidanylidene-4-(2-oxidanylidene-2-phenylazanyl-ethyl)-3-(3-phenylpropyl)-2-sulfanylidene-imidazolidin-1-yl]benzoate Openeye Name: ethyl 4-[4-(2-anilino-2-oxo-ethyl)-5-oxo-3-(3-phenylpropyl)-2-thioxo-imidazolidin-1-yl]benzoate CAS Name: 4-[4-(2-anilino-2-oxoethyl)-5-oxo-3-(3-phenylpropyl)-2-sulfanylidene-1-imidazolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-anilino-2-oxoethyl)-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-1-yl]benzoate Traditional Name: 4-[4-(2-anilino-2-keto-ethyl)-5-keto-3-(3-phenylpropyl)-2-thioxo-imidazolidin-1-yl]benzoic acid ethyl ester Formula: C29H29N3O4S MolecularWeight: 515.62326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCCC3=CC=CC=C3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCCC3=CC=CC=C3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C29H29N3O4S/c1-2-36-28(35)22-15-17-24(18-16-22)32-27(34)25(20-26(33)30-23-13-7-4-8-14-23)31(29(32)37)19-9-12-21-10-5-3-6-11-21/h3-8,10-11,13-18,25H,2,9,12,19-20H2,1H3,(H,30,33)