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

Systemtic Name: ethyl 4-[2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxidanylidene-1-phenethyl-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxo-1-phenethyl-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxo-1-phenethyl-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxo-1-phenethyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-(5-keto-1-phenethyl-3-piperonyl-2-thioxo-imidazolidin-4-yl)acetyl]amino]benzoic acid ethyl ester Formula: C30H29N3O6S MolecularWeight: 559.63276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC4=C(C=C3)OCO4)CCC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC4=C(C=C3)OCO4)CCC5=CC=CC=C5

InChI

InChI=1S/C30H29N3O6S/c1-2-37-29(36)22-9-11-23(12-10-22)31-27(34)17-24-28(35)32(15-14-20-6-4-3-5-7-20)30(40)33(24)18-21-8-13-25-26(16-21)39-19-38-25/h3-13,16,24H,2,14-15,17-19H2,1H3,(H,31,34)