2,2,2-tris(fluoranyl)-N-[1-(phenethylcarbamothioyl)pyrrolidin-3-yl]ethanamide

Systemtic Name: 2,2,2-tris(fluoranyl)-N-[1-(phenethylcarbamothioyl)pyrrolidin-3-yl]ethanamide Openeye Name: 2,2,2-trifluoro-N-[1-(phenethylcarbamothioyl)pyrrolidin-3-yl]acetamide CAS Name: 2,2,2-trifluoro-N-[1-[(phenethylamino)-sulfanylidenemethyl]-3-pyrrolidinyl]acetamide IUPAC Name: 2,2,2-trifluoro-N-[1-(phenethylcarbamothioyl)pyrrolidin-3-yl]acetamide Traditional Name: 2,2,2-trifluoro-N-[1-(phenethylthiocarbamoyl)pyrrolidin-3-yl]acetamide Formula: C15H18F3N3OS MolecularWeight: 345.38313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)C(F)(F)F)C(=S)NCCC2=CC=CC=C2

Isomeric SMILES

C1CN(CC1NC(=O)C(F)(F)F)C(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C15H18F3N3OS/c16-15(17,18)13(22)20-12-7-9-21(10-12)14(23)19-8-6-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,19,23)(H,20,22)