4-[4-[5-[5,5-dimethyl-4-oxidanylidene-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-sulfanylidene-imidazolidin-1-yl]pentyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[5-[5,5-dimethyl-4-oxidanylidene-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-sulfanylidene-imidazolidin-1-yl]pentyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[5-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-isobenzofuran-5-yl)-2-thioxo-imidazolidin-1-yl]pentyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[5-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-isobenzofuran-5-yl)-2-sulfanylidene-1-imidazolidinyl]pentyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[5-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-2-benzofuran-5-yl)-2-sulfanylideneimidazolidin-1-yl]pentyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[5-[4-keto-3-(1-ketophthalan-5-yl)-5,5-dimethyl-2-thioxo-imidazolidin-1-yl]pentyl]piperazino]sulfonylbenzonitrile Formula: C29H33N5O5S2 MolecularWeight: 595.73282

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=S)N1CCCCCN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)C4=CC5=C(C=C4)C(=O)OC5)C

Isomeric SMILES

CC1(C(=O)N(C(=S)N1CCCCCN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)C4=CC5=C(C=C4)C(=O)OC5)C

InChI

InChI=1S/C29H33N5O5S2/c1-29(2)27(36)34(23-8-11-25-22(18-23)20-39-26(25)35)28(40)33(29)13-5-3-4-12-31-14-16-32(17-15-31)41(37,38)24-9-6-21(19-30)7-10-24/h6-11,18H,3-5,12-17,20H2,1-2H3