S-ethyl 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-ethyl 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-ethyl 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-ethyl ester IUPAC Name: S-ethyl 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-ethyl ester Formula: C28H40N4O4S2 MolecularWeight: 560.7716

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)N1CCN(CC1)CCCCCCCCN2C(=S)N(C(=O)C2(C)C)C3=CC4=C(C=C3)C(=O)OC4

Isomeric SMILES

CCSC(=O)N1CCN(CC1)CCCCCCCCN2C(=S)N(C(=O)C2(C)C)C3=CC4=C(C=C3)C(=O)OC4

InChI

InChI=1S/C28H40N4O4S2/c1-4-38-27(35)30-17-15-29(16-18-30)13-9-7-5-6-8-10-14-31-26(37)32(25(34)28(31,2)3)22-11-12-23-21(19-22)20-36-24(23)33/h11-12,19H,4-10,13-18,20H2,1-3H3