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

Systemtic Name: tert-butyl 4-[5-[4,4-dimethyl-5-oxidanylidene-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-sulfanylidene-imidazolidin-1-yl]pentyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-[4,4-dimethyl-5-oxo-3-(1-oxo-3H-isobenzofuran-5-yl)-2-thioxo-imidazolidin-1-yl]pentyl]piperazine-1-carboxylate CAS Name: 4-[5-[4,4-dimethyl-5-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-[4,4-dimethyl-5-oxo-3-(1-oxo-3H-2-benzofuran-5-yl)-2-sulfanylideneimidazolidin-1-yl]pentyl]piperazine-1-carboxylate Traditional Name: 4-[5-[5-keto-3-(1-ketophthalan-5-yl)-4,4-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)N1C2=CC3=C(C=C2)C(=O)OC3)CCCCCN4CCN(CC4)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1(C(=O)N(C(=S)N1C2=CC3=C(C=C2)C(=O)OC3)CCCCCN4CCN(CC4)C(=O)OC(C)(C)C)C

InChI

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