N-[[2,4-bis(fluoranyl)phenyl]methyl]-4-(2-methylsulfanylethanoylamino)piperidine-4-carboxamide

Systemtic Name: N-[[2,4-bis(fluoranyl)phenyl]methyl]-4-(2-methylsulfanylethanoylamino)piperidine-4-carboxamide Openeye Name: N-[(2,4-difluorophenyl)methyl]-4-[(2-methylsulfanylacetyl)amino]piperidine-4-carboxamide CAS Name: N-[(2,4-difluorophenyl)methyl]-4-[[2-(methylthio)-1-oxoethyl]amino]-4-piperidinecarboxamide IUPAC Name: N-[(2,4-difluorophenyl)methyl]-4-[(2-methylsulfanylacetyl)amino]piperidine-4-carboxamide Traditional Name: N-(2,4-difluorobenzyl)-4-[[2-(methylthio)acetyl]amino]isonipecotamide Formula: C16H21F2N3O2S MolecularWeight: 357.418646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)NC1(CCNCC1)C(=O)NCC2=C(C=C(C=C2)F)F

Isomeric SMILES

CSCC(=O)NC1(CCNCC1)C(=O)NCC2=C(C=C(C=C2)F)F

InChI

InChI=1S/C16H21F2N3O2S/c1-24-10-14(22)21-16(4-6-19-7-5-16)15(23)20-9-11-2-3-12(17)8-13(11)18/h2-3,8,19H,4-7,9-10H2,1H3,(H,20,23)(H,21,22)