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

Systemtic Name: methyl 4-[2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxo-1-phenyl-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxo-1-phenyl-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-(5-keto-1-phenyl-3-piperonyl-2-thioxo-imidazolidin-4-yl)acetyl]amino]benzoic acid methyl ester Formula: C27H23N3O6S MolecularWeight: 517.55302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23N3O6S/c1-34-26(33)18-8-10-19(11-9-18)28-24(31)14-21-25(32)30(20-5-3-2-4-6-20)27(37)29(21)15-17-7-12-22-23(13-17)36-16-35-22/h2-13,21H,14-16H2,1H3,(H,28,31)