5,5-dimethyl-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-1-[6-(4-propanoylpiperazin-1-yl)hexyl]-2-sulfanylidene-imidazolidin-4-one

Systemtic Name: 5,5-dimethyl-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-1-[6-(4-propanoylpiperazin-1-yl)hexyl]-2-sulfanylidene-imidazolidin-4-one Openeye Name: 5,5-dimethyl-3-(1-oxo-3H-isobenzofuran-5-yl)-1-[6-(4-propanoylpiperazin-1-yl)hexyl]-2-thioxo-imidazolidin-4-one CAS Name: 5,5-dimethyl-3-(1-oxo-3H-isobenzofuran-5-yl)-1-[6-[4-(1-oxopropyl)-1-piperazinyl]hexyl]-2-sulfanylidene-4-imidazolidinone IUPAC Name: 5,5-dimethyl-3-(1-oxo-3H-2-benzofuran-5-yl)-1-[6-(4-propanoylpiperazin-1-yl)hexyl]-2-sulfanylideneimidazolidin-4-one Traditional Name: 3-(1-ketophthalan-5-yl)-5,5-dimethyl-1-[6-(4-propionylpiperazino)hexyl]-2-thioxo-4-imidazolidinone Formula: C26H36N4O4S MolecularWeight: 500.65344

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)CCCCCCN2C(=S)N(C(=O)C2(C)C)C3=CC4=C(C=C3)C(=O)OC4

Isomeric SMILES

CCC(=O)N1CCN(CC1)CCCCCCN2C(=S)N(C(=O)C2(C)C)C3=CC4=C(C=C3)C(=O)OC4

InChI

InChI=1S/C26H36N4O4S/c1-4-22(31)28-15-13-27(14-16-28)11-7-5-6-8-12-29-25(35)30(24(33)26(29,2)3)20-9-10-21-19(17-20)18-34-23(21)32/h9-10,17H,4-8,11-16,18H2,1-3H3