5,5-dimethyl-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-1-[7-(4-propylsulfonylpiperazin-1-yl)heptyl]-2-sulfanylidene-imidazolidin-4-one

Systemtic Name: 5,5-dimethyl-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-1-[7-(4-propylsulfonylpiperazin-1-yl)heptyl]-2-sulfanylidene-imidazolidin-4-one Openeye Name: 5,5-dimethyl-3-(1-oxo-3H-isobenzofuran-5-yl)-1-[7-(4-propylsulfonylpiperazin-1-yl)heptyl]-2-thioxo-imidazolidin-4-one CAS Name: 5,5-dimethyl-3-(1-oxo-3H-isobenzofuran-5-yl)-1-[7-(4-propylsulfonyl-1-piperazinyl)heptyl]-2-sulfanylidene-4-imidazolidinone IUPAC Name: 5,5-dimethyl-3-(1-oxo-3H-2-benzofuran-5-yl)-1-[7-(4-propylsulfonylpiperazin-1-yl)heptyl]-2-sulfanylideneimidazolidin-4-one Traditional Name: 3-(1-ketophthalan-5-yl)-5,5-dimethyl-1-[7-(4-propylsulfonylpiperazino)heptyl]-2-thioxo-4-imidazolidinone Formula: C27H40N4O5S2 MolecularWeight: 564.7603

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCN(CC1)CCCCCCCN2C(=S)N(C(=O)C2(C)C)C3=CC4=C(C=C3)C(=O)OC4

Isomeric SMILES

CCCS(=O)(=O)N1CCN(CC1)CCCCCCCN2C(=S)N(C(=O)C2(C)C)C3=CC4=C(C=C3)C(=O)OC4

InChI

InChI=1S/C27H40N4O5S2/c1-4-18-38(34,35)29-16-14-28(15-17-29)12-8-6-5-7-9-13-30-26(37)31(25(33)27(30,2)3)22-10-11-23-21(19-22)20-36-24(23)32/h10-11,19H,4-9,12-18,20H2,1-3H3