tert-butyl 4-[5-[5,5-dimethyl-4-oxidanylidene-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-sulfanylidene-imidazolidin-1-yl]pentyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-[5,5-dimethyl-4-oxidanylidene-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-sulfanylidene-imidazolidin-1-yl]pentyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-isobenzofuran-5-yl)-2-thioxo-imidazolidin-1-yl]pentyl]piperazine-1-carboxylate CAS Name: 4-[5-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-isobenzofuran-5-yl)-2-sulfanylidene-1-imidazolidinyl]pentyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-2-benzofuran-5-yl)-2-sulfanylideneimidazolidin-1-yl]pentyl]piperazine-1-carboxylate Traditional Name: 4-[5-[4-keto-3-(1-ketophthalan-5-yl)-5,5-dimethyl-2-thioxo-imidazolidin-1-yl]pentyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H38N4O5S MolecularWeight: 530.67942

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=S)N1CCCCCN2CCN(CC2)C(=O)OC(C)(C)C)C3=CC4=C(C=C3)C(=O)OC4)C

Isomeric SMILES

CC1(C(=O)N(C(=S)N1CCCCCN2CCN(CC2)C(=O)OC(C)(C)C)C3=CC4=C(C=C3)C(=O)OC4)C

InChI

InChI=1S/C27H38N4O5S/c1-26(2,3)36-25(34)29-15-13-28(14-16-29)11-7-6-8-12-30-24(37)31(23(33)27(30,4)5)20-9-10-21-19(17-20)18-35-22(21)32/h9-10,17H,6-8,11-16,18H2,1-5H3