5,5-dimethyl-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-1-[8-(4-propylsulfonylpiperazin-1-yl)octyl]-2-sulfanylidene-imidazolidin-4-one

Systemtic Name: 5,5-dimethyl-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-1-[8-(4-propylsulfonylpiperazin-1-yl)octyl]-2-sulfanylidene-imidazolidin-4-one Openeye Name: 5,5-dimethyl-3-(1-oxo-3H-isobenzofuran-5-yl)-1-[8-(4-propylsulfonylpiperazin-1-yl)octyl]-2-thioxo-imidazolidin-4-one CAS Name: 5,5-dimethyl-3-(1-oxo-3H-isobenzofuran-5-yl)-1-[8-(4-propylsulfonyl-1-piperazinyl)octyl]-2-sulfanylidene-4-imidazolidinone IUPAC Name: 5,5-dimethyl-3-(1-oxo-3H-2-benzofuran-5-yl)-1-[8-(4-propylsulfonylpiperazin-1-yl)octyl]-2-sulfanylideneimidazolidin-4-one Traditional Name: 3-(1-ketophthalan-5-yl)-5,5-dimethyl-1-[8-(4-propylsulfonylpiperazino)octyl]-2-thioxo-4-imidazolidinone Formula: C28H42N4O5S2 MolecularWeight: 578.78688

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCN(CC1)CCCCCCCCN2C(=S)N(C(=O)C2(C)C)C3=CC4=C(C=C3)C(=O)OC4

Isomeric SMILES

CCCS(=O)(=O)N1CCN(CC1)CCCCCCCCN2C(=S)N(C(=O)C2(C)C)C3=CC4=C(C=C3)C(=O)OC4

InChI

InChI=1S/C28H42N4O5S2/c1-4-19-39(35,36)30-17-15-29(16-18-30)13-9-7-5-6-8-10-14-31-27(38)32(26(34)28(31,2)3)23-11-12-24-22(20-23)21-37-25(24)33/h11-12,20H,4-10,13-19,21H2,1-3H3