S-methyl 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-methyl 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-methyl 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-methyl ester IUPAC Name: S-methyl 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-methyl ester Formula: C23H30N4O4S2 MolecularWeight: 490.6387

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=S)N1CCCCN2CCN(CC2)C(=O)SC)C3=CC4=C(C=C3)C(=O)OC4)C

Isomeric SMILES

CC1(C(=O)N(C(=S)N1CCCCN2CCN(CC2)C(=O)SC)C3=CC4=C(C=C3)C(=O)OC4)C

InChI

InChI=1S/C23H30N4O4S2/c1-23(2)20(29)27(17-6-7-18-16(14-17)15-31-19(18)28)21(32)26(23)9-5-4-8-24-10-12-25(13-11-24)22(30)33-3/h6-7,14H,4-5,8-13,15H2,1-3H3