S-methyl 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-methyl 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-methyl 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-methyl ester IUPAC Name: S-methyl 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-methyl ester Formula: C24H32N4O4S2 MolecularWeight: 504.66528

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=S)N1CCCCCN2CCN(CC2)C(=O)SC)C3=CC4=C(C=C3)C(=O)OC4)C

Isomeric SMILES

CC1(C(=O)N(C(=S)N1CCCCCN2CCN(CC2)C(=O)SC)C3=CC4=C(C=C3)C(=O)OC4)C

InChI

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