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

Systemtic Name: methyl 4-[2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-5-oxo-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-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-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[1-(4-chlorophenyl)-5-keto-3-piperonyl-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid methyl ester Formula: C27H22ClN3O6S MolecularWeight: 551.99808

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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=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H22ClN3O6S/c1-35-26(34)17-3-7-19(8-4-17)29-24(32)13-21-25(33)31(20-9-5-18(28)6-10-20)27(38)30(21)14-16-2-11-22-23(12-16)37-15-36-22/h2-12,21H,13-15H2,1H3,(H,29,32)