1-[(3-fluorophenyl)methylcarbamothioyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-fluorophenyl)methylcarbamothioyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-fluorophenyl)methylcarbamothioyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[(3-fluorophenyl)methylamino]-sulfanylidenemethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-fluorophenyl)methylcarbamothioyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-fluorobenzyl)thiocarbamoyl]proline Formula: C13H15FN2O2S MolecularWeight: 282.333803

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=S)NCC2=CC(=CC=C2)F)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=S)NCC2=CC(=CC=C2)F)C(=O)O

InChI

InChI=1S/C13H15FN2O2S/c14-10-4-1-3-9(7-10)8-15-13(19)16-6-2-5-11(16)12(17)18/h1,3-4,7,11H,2,5-6,8H2,(H,15,19)(H,17,18)