(2R,4R)-1-[(4-chlorophenyl)carbamothioyl]-N-[2-fluoranyl-4-(3-oxidanylidenemorpholin-4-yl)phenyl]-4-(2-methoxyethoxy)pyrrolidine-2-carboxamide

Systemtic Name: (2R,4R)-1-[(4-chlorophenyl)carbamothioyl]-N-[2-fluoranyl-4-(3-oxidanylidenemorpholin-4-yl)phenyl]-4-(2-methoxyethoxy)pyrrolidine-2-carboxamide Openeye Name: (2R,4R)-1-[(4-chlorophenyl)carbamothioyl]-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-4-(2-methoxyethoxy)pyrrolidine-2-carboxamide CAS Name: (2R,4R)-1-[(4-chloroanilino)-sulfanylidenemethyl]-N-[2-fluoro-4-(3-oxo-4-morpholinyl)phenyl]-4-(2-methoxyethoxy)-2-pyrrolidinecarboxamide IUPAC Name: (2R,4R)-1-[(4-chlorophenyl)carbamothioyl]-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-4-(2-methoxyethoxy)pyrrolidine-2-carboxamide Traditional Name: (2R,4R)-1-[(4-chlorophenyl)thiocarbamoyl]-N-[2-fluoro-4-(3-ketomorpholino)phenyl]-4-(2-methoxyethoxy)pyrrolidine-2-carboxamide Formula: C25H28ClFN4O5S MolecularWeight: 551.030023

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1CC(N(C1)C(=S)NC2=CC=C(C=C2)Cl)C(=O)NC3=C(C=C(C=C3)N4CCOCC4=O)F

Isomeric SMILES

COCCO[C@@H]1C[C@@H](N(C1)C(=S)NC2=CC=C(C=C2)Cl)C(=O)NC3=C(C=C(C=C3)N4CCOCC4=O)F

InChI

InChI=1S/C25H28ClFN4O5S/c1-34-10-11-36-19-13-22(31(14-19)25(37)28-17-4-2-16(26)3-5-17)24(33)29-21-7-6-18(12-20(21)27)30-8-9-35-15-23(30)32/h2-7,12,19,22H,8-11,13-15H2,1H3,(H,28,37)(H,29,33)/t19-,22-/m1/s1