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

Systemtic Name: 1-[7-(4-cyclopropylcarbonylpiperazin-1-yl)heptyl]-5,5-dimethyl-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-sulfanylidene-imidazolidin-4-one Openeye Name: 1-[7-[4-(cyclopropanecarbonyl)piperazin-1-yl]heptyl]-5,5-dimethyl-3-(1-oxo-3H-isobenzofuran-5-yl)-2-thioxo-imidazolidin-4-one CAS Name: 1-[7-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]heptyl]-5,5-dimethyl-3-(1-oxo-3H-isobenzofuran-5-yl)-2-sulfanylidene-4-imidazolidinone IUPAC Name: 1-[7-[4-(cyclopropanecarbonyl)piperazin-1-yl]heptyl]-5,5-dimethyl-3-(1-oxo-3H-2-benzofuran-5-yl)-2-sulfanylideneimidazolidin-4-one Traditional Name: 1-[7-[4-(cyclopropanecarbonyl)piperazino]heptyl]-3-(1-ketophthalan-5-yl)-5,5-dimethyl-2-thioxo-4-imidazolidinone Formula: C28H38N4O4S MolecularWeight: 526.69072

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=S)N1CCCCCCCN2CCN(CC2)C(=O)C3CC3)C4=CC5=C(C=C4)C(=O)OC5)C

Isomeric SMILES

CC1(C(=O)N(C(=S)N1CCCCCCCN2CCN(CC2)C(=O)C3CC3)C4=CC5=C(C=C4)C(=O)OC5)C

InChI

InChI=1S/C28H38N4O4S/c1-28(2)26(35)32(22-10-11-23-21(18-22)19-36-25(23)34)27(37)31(28)13-7-5-3-4-6-12-29-14-16-30(17-15-29)24(33)20-8-9-20/h10-11,18,20H,3-9,12-17,19H2,1-2H3