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

Systemtic Name: 1-[7-(4-cyclobutylcarbonylpiperazin-1-yl)heptyl]-5,5-dimethyl-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-sulfanylidene-imidazolidin-4-one Openeye Name: 1-[7-[4-(cyclobutanecarbonyl)piperazin-1-yl]heptyl]-5,5-dimethyl-3-(1-oxo-3H-isobenzofuran-5-yl)-2-thioxo-imidazolidin-4-one CAS Name: 1-[7-[4-[cyclobutyl(oxo)methyl]-1-piperazinyl]heptyl]-5,5-dimethyl-3-(1-oxo-3H-isobenzofuran-5-yl)-2-sulfanylidene-4-imidazolidinone IUPAC Name: 1-[7-[4-(cyclobutanecarbonyl)piperazin-1-yl]heptyl]-5,5-dimethyl-3-(1-oxo-3H-2-benzofuran-5-yl)-2-sulfanylideneimidazolidin-4-one Traditional Name: 1-[7-[4-(cyclobutanecarbonyl)piperazino]heptyl]-3-(1-ketophthalan-5-yl)-5,5-dimethyl-2-thioxo-4-imidazolidinone Formula: C29H40N4O4S MolecularWeight: 540.7173

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=S)N1CCCCCCCN2CCN(CC2)C(=O)C3CCC3)C4=CC5=C(C=C4)C(=O)OC5)C

Isomeric SMILES

CC1(C(=O)N(C(=S)N1CCCCCCCN2CCN(CC2)C(=O)C3CCC3)C4=CC5=C(C=C4)C(=O)OC5)C

InChI

InChI=1S/C29H40N4O4S/c1-29(2)27(36)33(23-11-12-24-22(19-23)20-37-26(24)35)28(38)32(29)14-7-5-3-4-6-13-30-15-17-31(18-16-30)25(34)21-9-8-10-21/h11-12,19,21H,3-10,13-18,20H2,1-2H3