3-[(4-fluorophenyl)-[2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanylethanoyl]amino]propanamide

Systemtic Name: 3-[(4-fluorophenyl)-[2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanylethanoyl]amino]propanamide Openeye Name: 3-(4-fluoro-N-[2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]sulfanyl]acetyl]anilino)propanamide CAS Name: 3-(4-fluoro-N-[1-oxo-2-[[5-[oxo(1-pyrrolidinyl)methyl]-2-pyridinyl]thio]ethyl]anilino)propanamide IUPAC Name: 3-(4-fluoro-N-[2-[5-(pyrrolidine-1-carbonyl)pyridin-2-yl]sulfanylacetyl]anilino)propanamide Traditional Name: 3-(4-fluoro-N-[2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]thio]acetyl]anilino)propionamide Formula: C21H23FN4O3S MolecularWeight: 430.495723

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CN=C(C=C2)SCC(=O)N(CCC(=O)N)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(C1)C(=O)C2=CN=C(C=C2)SCC(=O)N(CCC(=O)N)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN4O3S/c22-16-4-6-17(7-5-16)26(12-9-18(23)27)20(28)14-30-19-8-3-15(13-24-19)21(29)25-10-1-2-11-25/h3-8,13H,1-2,9-12,14H2,(H2,23,27)