N-(5-aminocarbonyl-2-pyrrolidin-1-yl-phenyl)-6-[(4-fluorophenyl)methyl]-5-oxidanylidene-thiomorpholine-3-carboxamide

Systemtic Name: N-(5-aminocarbonyl-2-pyrrolidin-1-yl-phenyl)-6-[(4-fluorophenyl)methyl]-5-oxidanylidene-thiomorpholine-3-carboxamide Openeye Name: N-(5-carbamoyl-2-pyrrolidin-1-yl-phenyl)-6-[(4-fluorophenyl)methyl]-5-oxo-thiomorpholine-3-carboxamide CAS Name: N-[5-carbamoyl-2-(1-pyrrolidinyl)phenyl]-6-[(4-fluorophenyl)methyl]-5-oxo-3-thiomorpholinecarboxamide IUPAC Name: N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide Traditional Name: N-(5-carbamoyl-2-pyrrolidino-phenyl)-6-(4-fluorobenzyl)-5-keto-thiomorpholine-3-carboxamide Formula: C23H25FN4O3S MolecularWeight: 456.533003

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N)NC(=O)C3CSC(C(=O)N3)CC4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N)NC(=O)C3CSC(C(=O)N3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C23H25FN4O3S/c24-16-6-3-14(4-7-16)11-20-23(31)27-18(13-32-20)22(30)26-17-12-15(21(25)29)5-8-19(17)28-9-1-2-10-28/h3-8,12,18,20H,1-2,9-11,13H2,(H2,25,29)(H,26,30)(H,27,31)