S-methyl 4-[8-[5,5-dimethyl-4-oxidanylidene-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-sulfanylidene-imidazolidin-1-yl]octyl]piperazine-1-carbothioate

Systemtic Name: S-methyl 4-[8-[5,5-dimethyl-4-oxidanylidene-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-sulfanylidene-imidazolidin-1-yl]octyl]piperazine-1-carbothioate Openeye Name: S-methyl 4-[8-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-isobenzofuran-5-yl)-2-thioxo-imidazolidin-1-yl]octyl]piperazine-1-carbothioate CAS Name: 4-[8-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-isobenzofuran-5-yl)-2-sulfanylidene-1-imidazolidinyl]octyl]-1-piperazinecarbothioic acid S-methyl ester IUPAC Name: S-methyl 4-[8-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-2-benzofuran-5-yl)-2-sulfanylideneimidazolidin-1-yl]octyl]piperazine-1-carbothioate Traditional Name: 4-[8-[4-keto-3-(1-ketophthalan-5-yl)-5,5-dimethyl-2-thioxo-imidazolidin-1-yl]octyl]piperazine-1-carbothioic acid S-methyl ester Formula: C27H38N4O4S2 MolecularWeight: 546.74502

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=S)N1CCCCCCCCN2CCN(CC2)C(=O)SC)C3=CC4=C(C=C3)C(=O)OC4)C

Isomeric SMILES

CC1(C(=O)N(C(=S)N1CCCCCCCCN2CCN(CC2)C(=O)SC)C3=CC4=C(C=C3)C(=O)OC4)C

InChI

InChI=1S/C27H38N4O4S2/c1-27(2)24(33)31(21-10-11-22-20(18-21)19-35-23(22)32)25(36)30(27)13-9-7-5-4-6-8-12-28-14-16-29(17-15-28)26(34)37-3/h10-11,18H,4-9,12-17,19H2,1-3H3