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

Systemtic Name: S-ethyl 4-[4-[5,5-dimethyl-4-oxidanylidene-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-sulfanylidene-imidazolidin-1-yl]butyl]piperazine-1-carbothioate Openeye Name: S-ethyl 4-[4-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-isobenzofuran-5-yl)-2-thioxo-imidazolidin-1-yl]butyl]piperazine-1-carbothioate CAS Name: 4-[4-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-isobenzofuran-5-yl)-2-sulfanylidene-1-imidazolidinyl]butyl]-1-piperazinecarbothioic acid S-ethyl ester IUPAC Name: S-ethyl 4-[4-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-2-benzofuran-5-yl)-2-sulfanylideneimidazolidin-1-yl]butyl]piperazine-1-carbothioate Traditional Name: 4-[4-[4-keto-3-(1-ketophthalan-5-yl)-5,5-dimethyl-2-thioxo-imidazolidin-1-yl]butyl]piperazine-1-carbothioic acid S-ethyl ester Formula: C24H32N4O4S2 MolecularWeight: 504.66528

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)N1CCN(CC1)CCCCN2C(=S)N(C(=O)C2(C)C)C3=CC4=C(C=C3)C(=O)OC4

Isomeric SMILES

CCSC(=O)N1CCN(CC1)CCCCN2C(=S)N(C(=O)C2(C)C)C3=CC4=C(C=C3)C(=O)OC4

InChI

InChI=1S/C24H32N4O4S2/c1-4-34-23(31)26-13-11-25(12-14-26)9-5-6-10-27-22(33)28(21(30)24(27,2)3)18-7-8-19-17(15-18)16-32-20(19)29/h7-8,15H,4-6,9-14,16H2,1-3H3