5-[5,5-dimethyl-4-oxidanylidene-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-sulfanylidene-imidazolidin-1-yl]pentyl 4-methylbenzenesulfonate

Systemtic Name: 5-[5,5-dimethyl-4-oxidanylidene-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-sulfanylidene-imidazolidin-1-yl]pentyl 4-methylbenzenesulfonate Openeye Name: 5-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-isobenzofuran-5-yl)-2-thioxo-imidazolidin-1-yl]pentyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 5-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-isobenzofuran-5-yl)-2-sulfanylidene-1-imidazolidinyl]pentyl ester IUPAC Name: 5-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-2-benzofuran-5-yl)-2-sulfanylideneimidazolidin-1-yl]pentyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 5-[4-keto-3-(1-ketophthalan-5-yl)-5,5-dimethyl-2-thioxo-imidazolidin-1-yl]pentyl ester Formula: C25H28N2O6S2 MolecularWeight: 516.62962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCN2C(=S)N(C(=O)C2(C)C)C3=CC4=C(C=C3)C(=O)OC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCN2C(=S)N(C(=O)C2(C)C)C3=CC4=C(C=C3)C(=O)OC4

InChI

InChI=1S/C25H28N2O6S2/c1-17-7-10-20(11-8-17)35(30,31)33-14-6-4-5-13-26-24(34)27(23(29)25(26,2)3)19-9-12-21-18(15-19)16-32-22(21)28/h7-12,15H,4-6,13-14,16H2,1-3H3