S-ethyl 4-[6-[5,5-dimethyl-4-oxidanylidene-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-sulfanylidene-imidazolidin-1-yl]hexyl]piperazine-1-carbothioate

Systemtic Name: S-ethyl 4-[6-[5,5-dimethyl-4-oxidanylidene-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-sulfanylidene-imidazolidin-1-yl]hexyl]piperazine-1-carbothioate Openeye Name: S-ethyl 4-[6-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-isobenzofuran-5-yl)-2-thioxo-imidazolidin-1-yl]hexyl]piperazine-1-carbothioate CAS Name: 4-[6-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-isobenzofuran-5-yl)-2-sulfanylidene-1-imidazolidinyl]hexyl]-1-piperazinecarbothioic acid S-ethyl ester IUPAC Name: S-ethyl 4-[6-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-2-benzofuran-5-yl)-2-sulfanylideneimidazolidin-1-yl]hexyl]piperazine-1-carbothioate Traditional Name: 4-[6-[4-keto-3-(1-ketophthalan-5-yl)-5,5-dimethyl-2-thioxo-imidazolidin-1-yl]hexyl]piperazine-1-carbothioic acid S-ethyl ester Formula: C26H36N4O4S2 MolecularWeight: 532.71844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N4O4S2/c1-4-36-25(33)28-15-13-27(14-16-28)11-7-5-6-8-12-29-24(35)30(23(32)26(29,2)3)20-9-10-21-19(17-20)18-34-22(21)31/h9-10,17H,4-8,11-16,18H2,1-3H3