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

Systemtic Name: 5,5-dimethyl-1-[7-[4-(2-methylpropanoyl)piperazin-1-yl]heptyl]-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-sulfanylidene-imidazolidin-4-one Openeye Name: 5,5-dimethyl-1-[7-[4-(2-methylpropanoyl)piperazin-1-yl]heptyl]-3-(1-oxo-3H-isobenzofuran-5-yl)-2-thioxo-imidazolidin-4-one CAS Name: 5,5-dimethyl-1-[7-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]heptyl]-3-(1-oxo-3H-isobenzofuran-5-yl)-2-sulfanylidene-4-imidazolidinone IUPAC Name: 5,5-dimethyl-1-[7-[4-(2-methylpropanoyl)piperazin-1-yl]heptyl]-3-(1-oxo-3H-2-benzofuran-5-yl)-2-sulfanylideneimidazolidin-4-one Traditional Name: 1-[7-(4-isobutyrylpiperazino)heptyl]-3-(1-ketophthalan-5-yl)-5,5-dimethyl-2-thioxo-4-imidazolidinone Formula: C28H40N4O4S MolecularWeight: 528.7066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40N4O4S/c1-20(2)24(33)30-16-14-29(15-17-30)12-8-6-5-7-9-13-31-27(37)32(26(35)28(31,3)4)22-10-11-23-21(18-22)19-36-25(23)34/h10-11,18,20H,5-9,12-17,19H2,1-4H3