S-methyl 4-[7-[5,5-dimethyl-4-oxidanylidene-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-sulfanylidene-imidazolidin-1-yl]heptyl]piperazine-1-carbothioate

Systemtic Name: S-methyl 4-[7-[5,5-dimethyl-4-oxidanylidene-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-sulfanylidene-imidazolidin-1-yl]heptyl]piperazine-1-carbothioate Openeye Name: S-methyl 4-[7-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-isobenzofuran-5-yl)-2-thioxo-imidazolidin-1-yl]heptyl]piperazine-1-carbothioate CAS Name: 4-[7-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-isobenzofuran-5-yl)-2-sulfanylidene-1-imidazolidinyl]heptyl]-1-piperazinecarbothioic acid S-methyl ester IUPAC Name: S-methyl 4-[7-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-2-benzofuran-5-yl)-2-sulfanylideneimidazolidin-1-yl]heptyl]piperazine-1-carbothioate Traditional Name: 4-[7-[4-keto-3-(1-ketophthalan-5-yl)-5,5-dimethyl-2-thioxo-imidazolidin-1-yl]heptyl]piperazine-1-carbothioic acid S-methyl ester Formula: C26H36N4O4S2 MolecularWeight: 532.71844

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=S)N1CCCCCCCN2CCN(CC2)C(=O)SC)C3=CC4=C(C=C3)C(=O)OC4)C

Isomeric SMILES

CC1(C(=O)N(C(=S)N1CCCCCCCN2CCN(CC2)C(=O)SC)C3=CC4=C(C=C3)C(=O)OC4)C

InChI

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