S-ethyl 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-ethyl 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-ethyl 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-ethyl ester IUPAC Name: S-ethyl 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-ethyl ester Formula: C27H38N4O4S2 MolecularWeight: 546.74502

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)N1CCN(CC1)CCCCCCCN2C(=S)N(C(=O)C2(C)C)C3=CC4=C(C=C3)C(=O)OC4

Isomeric SMILES

CCSC(=O)N1CCN(CC1)CCCCCCCN2C(=S)N(C(=O)C2(C)C)C3=CC4=C(C=C3)C(=O)OC4

InChI

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