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

Systemtic Name: 5,5-dimethyl-1-[7-(4-methylsulfonylpiperazin-1-yl)heptyl]-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-sulfanylidene-imidazolidin-4-one Openeye Name: 5,5-dimethyl-1-[7-(4-methylsulfonylpiperazin-1-yl)heptyl]-3-(1-oxo-3H-isobenzofuran-5-yl)-2-thioxo-imidazolidin-4-one CAS Name: 5,5-dimethyl-1-[7-(4-methylsulfonyl-1-piperazinyl)heptyl]-3-(1-oxo-3H-isobenzofuran-5-yl)-2-sulfanylidene-4-imidazolidinone IUPAC Name: 5,5-dimethyl-1-[7-(4-methylsulfonylpiperazin-1-yl)heptyl]-3-(1-oxo-3H-2-benzofuran-5-yl)-2-sulfanylideneimidazolidin-4-one Traditional Name: 3-(1-ketophthalan-5-yl)-1-[7-(4-mesylpiperazino)heptyl]-5,5-dimethyl-2-thioxo-4-imidazolidinone Formula: C25H36N4O5S2 MolecularWeight: 536.70714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=S)N1CCCCCCCN2CCN(CC2)S(=O)(=O)C)C3=CC4=C(C=C3)C(=O)OC4)C

Isomeric SMILES

CC1(C(=O)N(C(=S)N1CCCCCCCN2CCN(CC2)S(=O)(=O)C)C3=CC4=C(C=C3)C(=O)OC4)C

InChI

InChI=1S/C25H36N4O5S2/c1-25(2)23(31)29(20-9-10-21-19(17-20)18-34-22(21)30)24(35)28(25)12-8-6-4-5-7-11-26-13-15-27(16-14-26)36(3,32)33/h9-10,17H,4-8,11-16,18H2,1-3H3