4-[7-[5,5-dimethyl-4-oxidanylidene-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-sulfanylidene-imidazolidin-1-yl]heptyl]-N-prop-2-enyl-piperazine-1-carbothioamide

Systemtic Name: 4-[7-[5,5-dimethyl-4-oxidanylidene-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-sulfanylidene-imidazolidin-1-yl]heptyl]-N-prop-2-enyl-piperazine-1-carbothioamide Openeye Name: N-allyl-4-[7-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-isobenzofuran-5-yl)-2-thioxo-imidazolidin-1-yl]heptyl]piperazine-1-carbothioamide CAS Name: 4-[7-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-isobenzofuran-5-yl)-2-sulfanylidene-1-imidazolidinyl]heptyl]-N-prop-2-enyl-1-piperazinecarbothioamide IUPAC Name: 4-[7-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-2-benzofuran-5-yl)-2-sulfanylideneimidazolidin-1-yl]heptyl]-N-prop-2-enylpiperazine-1-carbothioamide Traditional Name: N-allyl-4-[7-[4-keto-3-(1-ketophthalan-5-yl)-5,5-dimethyl-2-thioxo-imidazolidin-1-yl]heptyl]piperazine-1-carbothioamide Formula: C28H39N5O3S2 MolecularWeight: 557.77096

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=S)N1CCCCCCCN2CCN(CC2)C(=S)NCC=C)C3=CC4=C(C=C3)C(=O)OC4)C

Isomeric SMILES

CC1(C(=O)N(C(=S)N1CCCCCCCN2CCN(CC2)C(=S)NCC=C)C3=CC4=C(C=C3)C(=O)OC4)C

InChI

InChI=1S/C28H39N5O3S2/c1-4-12-29-26(37)31-17-15-30(16-18-31)13-8-6-5-7-9-14-32-27(38)33(25(35)28(32,2)3)22-10-11-23-21(19-22)20-36-24(23)34/h4,10-11,19H,1,5-9,12-18,20H2,2-3H3,(H,29,37)