4-[7-[5,5-dimethyl-4-oxidanylidene-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-sulfanylidene-imidazolidin-1-yl]heptyl]-N-ethyl-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-ethyl-piperazine-1-carbothioamide Openeye Name: 4-[7-[5,5-dimethyl-4-oxo-3-(1-oxo-3H-isobenzofuran-5-yl)-2-thioxo-imidazolidin-1-yl]heptyl]-N-ethyl-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-ethyl-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-ethylpiperazine-1-carbothioamide Traditional Name: N-ethyl-4-[7-[4-keto-3-(1-ketophthalan-5-yl)-5,5-dimethyl-2-thioxo-imidazolidin-1-yl]heptyl]piperazine-1-carbothioamide Formula: C27H39N5O3S2 MolecularWeight: 545.76026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CCN(CC1)CCCCCCCN2C(=S)N(C(=O)C2(C)C)C3=CC4=C(C=C3)C(=O)OC4

Isomeric SMILES

CCNC(=S)N1CCN(CC1)CCCCCCCN2C(=S)N(C(=O)C2(C)C)C3=CC4=C(C=C3)C(=O)OC4

InChI

InChI=1S/C27H39N5O3S2/c1-4-28-25(36)30-16-14-29(15-17-30)12-8-6-5-7-9-13-31-26(37)32(24(34)27(31,2)3)21-10-11-22-20(18-21)19-35-23(22)33/h10-11,18H,4-9,12-17,19H2,1-3H3,(H,28,36)