N-(4-morpholin-4-ylphenyl)-4-[2-(4-phenyl-2-sulfanylidene-imidazolidin-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]thiane-4-carboxamide

Systemtic Name: N-(4-morpholin-4-ylphenyl)-4-[2-(4-phenyl-2-sulfanylidene-imidazolidin-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]thiane-4-carboxamide Openeye Name: N-(4-morpholinophenyl)-4-[[2-(4-phenyl-2-thioxo-imidazolidin-1-yl)acetyl]-(3-pyridylmethyl)amino]tetrahydrothiopyran-4-carboxamide CAS Name: N-[4-(4-morpholinyl)phenyl]-4-[[1-oxo-2-(4-phenyl-2-sulfanylidene-1-imidazolidinyl)ethyl]-(3-pyridinylmethyl)amino]-4-thianecarboxamide IUPAC Name: N-(4-morpholin-4-ylphenyl)-4-[[2-(4-phenyl-2-sulfanylideneimidazolidin-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]thiane-4-carboxamide Traditional Name: N-(4-morpholinophenyl)-4-[[2-(4-phenyl-2-thioxo-imidazolidin-1-yl)acetyl]-(3-pyridylmethyl)amino]tetrahydrothiopyran-4-carboxamide Formula: C33H38N6O3S2 MolecularWeight: 630.82322

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1(C(=O)NC2=CC=C(C=C2)N3CCOCC3)N(CC4=CN=CC=C4)C(=O)CN5CC(NC5=S)C6=CC=CC=C6

Isomeric SMILES

C1CSCCC1(C(=O)NC2=CC=C(C=C2)N3CCOCC3)N(CC4=CN=CC=C4)C(=O)CN5CC(NC5=S)C6=CC=CC=C6

InChI

InChI=1S/C33H38N6O3S2/c40-30(24-38-23-29(36-32(38)43)26-6-2-1-3-7-26)39(22-25-5-4-14-34-21-25)33(12-19-44-20-13-33)31(41)35-27-8-10-28(11-9-27)37-15-17-42-18-16-37/h1-11,14,21,29H,12-13,15-20,22-24H2,(H,35,41)(H,36,43)