4-[6-[5,5-dimethyl-4-oxidanylidene-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-sulfanylidene-imidazolidin-1-yl]hexyl]-N-prop-2-enyl-piperazine-1-carbothioamide

Systemtic Name: 4-[6-[5,5-dimethyl-4-oxidanylidene-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-sulfanylidene-imidazolidin-1-yl]hexyl]-N-prop-2-enyl-piperazine-1-carbothioamide Openeye Name: N-allyl-4-[6-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-isobenzofuran-5-yl)-2-thioxo-imidazolidin-1-yl]hexyl]piperazine-1-carbothioamide CAS Name: 4-[6-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-isobenzofuran-5-yl)-2-sulfanylidene-1-imidazolidinyl]hexyl]-N-prop-2-enyl-1-piperazinecarbothioamide IUPAC Name: 4-[6-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-2-benzofuran-5-yl)-2-sulfanylideneimidazolidin-1-yl]hexyl]-N-prop-2-enylpiperazine-1-carbothioamide Traditional Name: N-allyl-4-[6-[4-keto-3-(1-ketophthalan-5-yl)-5,5-dimethyl-2-thioxo-imidazolidin-1-yl]hexyl]piperazine-1-carbothioamide Formula: C27H37N5O3S2 MolecularWeight: 543.74438

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=S)N1CCCCCCN2CCN(CC2)C(=S)NCC=C)C3=CC4=C(C=C3)C(=O)OC4)C

Isomeric SMILES

CC1(C(=O)N(C(=S)N1CCCCCCN2CCN(CC2)C(=S)NCC=C)C3=CC4=C(C=C3)C(=O)OC4)C

InChI

InChI=1S/C27H37N5O3S2/c1-4-11-28-25(36)30-16-14-29(15-17-30)12-7-5-6-8-13-31-26(37)32(24(34)27(31,2)3)21-9-10-22-20(18-21)19-35-23(22)33/h4,9-10,18H,1,5-8,11-17,19H2,2-3H3,(H,28,36)