S-methyl 4-[6-[5,5-dimethyl-4-oxidanylidene-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-sulfanylidene-imidazolidin-1-yl]hexyl]piperazine-1-carbothioate

Systemtic Name: S-methyl 4-[6-[5,5-dimethyl-4-oxidanylidene-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-sulfanylidene-imidazolidin-1-yl]hexyl]piperazine-1-carbothioate Openeye Name: S-methyl 4-[6-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-isobenzofuran-5-yl)-2-thioxo-imidazolidin-1-yl]hexyl]piperazine-1-carbothioate CAS Name: 4-[6-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-isobenzofuran-5-yl)-2-sulfanylidene-1-imidazolidinyl]hexyl]-1-piperazinecarbothioic acid S-methyl ester IUPAC Name: S-methyl 4-[6-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-2-benzofuran-5-yl)-2-sulfanylideneimidazolidin-1-yl]hexyl]piperazine-1-carbothioate Traditional Name: 4-[6-[4-keto-3-(1-ketophthalan-5-yl)-5,5-dimethyl-2-thioxo-imidazolidin-1-yl]hexyl]piperazine-1-carbothioic acid S-methyl ester Formula: C25H34N4O4S2 MolecularWeight: 518.69186

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=S)N1CCCCCCN2CCN(CC2)C(=O)SC)C3=CC4=C(C=C3)C(=O)OC4)C

Isomeric SMILES

CC1(C(=O)N(C(=S)N1CCCCCCN2CCN(CC2)C(=O)SC)C3=CC4=C(C=C3)C(=O)OC4)C

InChI

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