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

Systemtic Name: S-ethyl 4-[3-[5,5-dimethyl-4-oxidanylidene-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-sulfanylidene-imidazolidin-1-yl]propyl]piperazine-1-carbothioate Openeye Name: S-ethyl 4-[3-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-isobenzofuran-5-yl)-2-thioxo-imidazolidin-1-yl]propyl]piperazine-1-carbothioate CAS Name: 4-[3-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-isobenzofuran-5-yl)-2-sulfanylidene-1-imidazolidinyl]propyl]-1-piperazinecarbothioic acid S-ethyl ester IUPAC Name: S-ethyl 4-[3-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-2-benzofuran-5-yl)-2-sulfanylideneimidazolidin-1-yl]propyl]piperazine-1-carbothioate Traditional Name: 4-[3-[4-keto-3-(1-ketophthalan-5-yl)-5,5-dimethyl-2-thioxo-imidazolidin-1-yl]propyl]piperazine-1-carbothioic acid S-ethyl ester Formula: C23H30N4O4S2 MolecularWeight: 490.6387

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)N1CCN(CC1)CCCN2C(=S)N(C(=O)C2(C)C)C3=CC4=C(C=C3)C(=O)OC4

Isomeric SMILES

CCSC(=O)N1CCN(CC1)CCCN2C(=S)N(C(=O)C2(C)C)C3=CC4=C(C=C3)C(=O)OC4

InChI

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