4-[8-[5,5-dimethyl-4-oxidanylidene-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-sulfanylidene-imidazolidin-1-yl]octyl]-N-prop-2-enyl-piperazine-1-carbothioamide

Systemtic Name: 4-[8-[5,5-dimethyl-4-oxidanylidene-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-sulfanylidene-imidazolidin-1-yl]octyl]-N-prop-2-enyl-piperazine-1-carbothioamide Openeye Name: N-allyl-4-[8-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-isobenzofuran-5-yl)-2-thioxo-imidazolidin-1-yl]octyl]piperazine-1-carbothioamide CAS Name: 4-[8-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-isobenzofuran-5-yl)-2-sulfanylidene-1-imidazolidinyl]octyl]-N-prop-2-enyl-1-piperazinecarbothioamide IUPAC Name: 4-[8-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-2-benzofuran-5-yl)-2-sulfanylideneimidazolidin-1-yl]octyl]-N-prop-2-enylpiperazine-1-carbothioamide Traditional Name: N-allyl-4-[8-[4-keto-3-(1-ketophthalan-5-yl)-5,5-dimethyl-2-thioxo-imidazolidin-1-yl]octyl]piperazine-1-carbothioamide Formula: C29H41N5O3S2 MolecularWeight: 571.79754

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=S)N1CCCCCCCCN2CCN(CC2)C(=S)NCC=C)C3=CC4=C(C=C3)C(=O)OC4)C

Isomeric SMILES

CC1(C(=O)N(C(=S)N1CCCCCCCCN2CCN(CC2)C(=S)NCC=C)C3=CC4=C(C=C3)C(=O)OC4)C

InChI

InChI=1S/C29H41N5O3S2/c1-4-13-30-27(38)32-18-16-31(17-19-32)14-9-7-5-6-8-10-15-33-28(39)34(26(36)29(33,2)3)23-11-12-24-22(20-23)21-37-25(24)35/h4,11-12,20H,1,5-10,13-19,21H2,2-3H3,(H,30,38)