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

Systemtic Name: S-ethyl 4-[5-[5,5-dimethyl-4-oxidanylidene-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-sulfanylidene-imidazolidin-1-yl]pentyl]piperazine-1-carbothioate Openeye Name: S-ethyl 4-[5-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-isobenzofuran-5-yl)-2-thioxo-imidazolidin-1-yl]pentyl]piperazine-1-carbothioate CAS Name: 4-[5-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-isobenzofuran-5-yl)-2-sulfanylidene-1-imidazolidinyl]pentyl]-1-piperazinecarbothioic acid S-ethyl ester IUPAC Name: S-ethyl 4-[5-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-2-benzofuran-5-yl)-2-sulfanylideneimidazolidin-1-yl]pentyl]piperazine-1-carbothioate Traditional Name: 4-[5-[4-keto-3-(1-ketophthalan-5-yl)-5,5-dimethyl-2-thioxo-imidazolidin-1-yl]pentyl]piperazine-1-carbothioic acid S-ethyl ester Formula: C25H34N4O4S2 MolecularWeight: 518.69186

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)N1CCN(CC1)CCCCCN2C(=S)N(C(=O)C2(C)C)C3=CC4=C(C=C3)C(=O)OC4

Isomeric SMILES

CCSC(=O)N1CCN(CC1)CCCCCN2C(=S)N(C(=O)C2(C)C)C3=CC4=C(C=C3)C(=O)OC4

InChI

InChI=1S/C25H34N4O4S2/c1-4-35-24(32)27-14-12-26(13-15-27)10-6-5-7-11-28-23(34)29(22(31)25(28,2)3)19-8-9-20-18(16-19)17-33-21(20)30/h8-9,16H,4-7,10-15,17H2,1-3H3