(3S)-1-[[2,4-bis(fluoranyl)phenyl]carbamothioyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-[[2,4-bis(fluoranyl)phenyl]carbamothioyl]piperidine-3-carboxamide Openeye Name: (3S)-1-[(2,4-difluorophenyl)carbamothioyl]piperidine-3-carboxamide CAS Name: (3S)-1-[(2,4-difluoroanilino)-sulfanylidenemethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-[(2,4-difluorophenyl)carbamothioyl]piperidine-3-carboxamide Traditional Name: (3S)-1-[(2,4-difluorophenyl)thiocarbamoyl]nipecotamide Formula: C13H15F2N3OS MolecularWeight: 299.339506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=S)NC2=C(C=C(C=C2)F)F)C(=O)N

Isomeric SMILES

C1C[C@@H](CN(C1)C(=S)NC2=C(C=C(C=C2)F)F)C(=O)N

InChI

InChI=1S/C13H15F2N3OS/c14-9-3-4-11(10(15)6-9)17-13(20)18-5-1-2-8(7-18)12(16)19/h3-4,6,8H,1-2,5,7H2,(H2,16,19)(H,17,20)/t8-/m0/s1