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

Systemtic Name: 5,5-dimethyl-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-1-[8-(4-propanoylpiperazin-1-yl)octyl]-2-sulfanylidene-imidazolidin-4-one Openeye Name: 5,5-dimethyl-3-(1-oxo-3H-isobenzofuran-5-yl)-1-[8-(4-propanoylpiperazin-1-yl)octyl]-2-thioxo-imidazolidin-4-one CAS Name: 5,5-dimethyl-3-(1-oxo-3H-isobenzofuran-5-yl)-1-[8-[4-(1-oxopropyl)-1-piperazinyl]octyl]-2-sulfanylidene-4-imidazolidinone IUPAC Name: 5,5-dimethyl-3-(1-oxo-3H-2-benzofuran-5-yl)-1-[8-(4-propanoylpiperazin-1-yl)octyl]-2-sulfanylideneimidazolidin-4-one Traditional Name: 3-(1-ketophthalan-5-yl)-5,5-dimethyl-1-[8-(4-propionylpiperazino)octyl]-2-thioxo-4-imidazolidinone Formula: C28H40N4O4S MolecularWeight: 528.7066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40N4O4S/c1-4-24(33)30-17-15-29(16-18-30)13-9-7-5-6-8-10-14-31-27(37)32(26(35)28(31,2)3)22-11-12-23-21(19-22)20-36-25(23)34/h11-12,19H,4-10,13-18,20H2,1-3H3