4-[cyclopropyl-[2-(4-phenyl-2-sulfanylidene-imidazolidin-1-yl)ethanoyl]amino]-N-(2,4-dimethoxyphenyl)thiane-4-carboxamide

Systemtic Name: 4-[cyclopropyl-[2-(4-phenyl-2-sulfanylidene-imidazolidin-1-yl)ethanoyl]amino]-N-(2,4-dimethoxyphenyl)thiane-4-carboxamide Openeye Name: 4-[cyclopropyl-[2-(4-phenyl-2-thioxo-imidazolidin-1-yl)acetyl]amino]-N-(2,4-dimethoxyphenyl)tetrahydrothiopyran-4-carboxamide CAS Name: 4-[cyclopropyl-[1-oxo-2-(4-phenyl-2-sulfanylidene-1-imidazolidinyl)ethyl]amino]-N-(2,4-dimethoxyphenyl)-4-thianecarboxamide IUPAC Name: 4-[cyclopropyl-[2-(4-phenyl-2-sulfanylideneimidazolidin-1-yl)acetyl]amino]-N-(2,4-dimethoxyphenyl)thiane-4-carboxamide Traditional Name: 4-[cyclopropyl-[2-(4-phenyl-2-thioxo-imidazolidin-1-yl)acetyl]amino]-N-(2,4-dimethoxyphenyl)tetrahydrothiopyran-4-carboxamide Formula: C28H34N4O4S2 MolecularWeight: 554.72396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C2(CCSCC2)N(C3CC3)C(=O)CN4CC(NC4=S)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C2(CCSCC2)N(C3CC3)C(=O)CN4CC(NC4=S)C5=CC=CC=C5)OC

InChI

InChI=1S/C28H34N4O4S2/c1-35-21-10-11-22(24(16-21)36-2)29-26(34)28(12-14-38-15-13-28)32(20-8-9-20)25(33)18-31-17-23(30-27(31)37)19-6-4-3-5-7-19/h3-7,10-11,16,20,23H,8-9,12-15,17-18H2,1-2H3,(H,29,34)(H,30,37)