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

Systemtic Name: methyl 4-[2-[3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-5-oxo-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-5-oxo-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-(1-ethyl-5-keto-3-piperonyl-2-thioxo-imidazolidin-4-yl)acetyl]amino]benzoic acid methyl ester Formula: C23H23N3O6S MolecularWeight: 469.51022

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(N(C1=S)CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCN1C(=O)C(N(C1=S)CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C23H23N3O6S/c1-3-25-21(28)17(11-20(27)24-16-7-5-15(6-8-16)22(29)30-2)26(23(25)33)12-14-4-9-18-19(10-14)32-13-31-18/h4-10,17H,3,11-13H2,1-2H3,(H,24,27)