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

Systemtic Name: 5,5-dimethyl-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-1-[8-[4-(phenylsulfonyl)piperazin-1-yl]octyl]-2-sulfanylidene-imidazolidin-4-one Openeye Name: 1-[8-[4-(benzenesulfonyl)piperazin-1-yl]octyl]-5,5-dimethyl-3-(1-oxo-3H-isobenzofuran-5-yl)-2-thioxo-imidazolidin-4-one CAS Name: 1-[8-[4-(benzenesulfonyl)-1-piperazinyl]octyl]-5,5-dimethyl-3-(1-oxo-3H-isobenzofuran-5-yl)-2-sulfanylidene-4-imidazolidinone IUPAC Name: 1-[8-[4-(benzenesulfonyl)piperazin-1-yl]octyl]-5,5-dimethyl-3-(1-oxo-3H-2-benzofuran-5-yl)-2-sulfanylideneimidazolidin-4-one Traditional Name: 1-[8-(4-besylpiperazino)octyl]-3-(1-ketophthalan-5-yl)-5,5-dimethyl-2-thioxo-4-imidazolidinone Formula: C31H40N4O5S2 MolecularWeight: 612.8031

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=S)N1CCCCCCCCN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C4=CC5=C(C=C4)C(=O)OC5)C

Isomeric SMILES

CC1(C(=O)N(C(=S)N1CCCCCCCCN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C4=CC5=C(C=C4)C(=O)OC5)C

InChI

InChI=1S/C31H40N4O5S2/c1-31(2)29(37)35(25-14-15-27-24(22-25)23-40-28(27)36)30(41)34(31)17-11-6-4-3-5-10-16-32-18-20-33(21-19-32)42(38,39)26-12-8-7-9-13-26/h7-9,12-15,22H,3-6,10-11,16-21,23H2,1-2H3