N-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]pentanamide

Systemtic Name: N-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]pentanamide Openeye Name: N-[[2-(1-piperidyl)-5-(trifluoromethyl)phenyl]carbamothioyl]pentanamide CAS Name: N-[[2-(1-piperidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]pentanamide Traditional Name: N-[[2-piperidino-5-(trifluoromethyl)phenyl]thiocarbamoyl]valeramide Formula: C18H24F3N3OS MolecularWeight: 387.46287

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=C(C=CC(=C1)C(F)(F)F)N2CCCCC2

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=C(C=CC(=C1)C(F)(F)F)N2CCCCC2

InChI

InChI=1S/C18H24F3N3OS/c1-2-3-7-16(25)23-17(26)22-14-12-13(18(19,20)21)8-9-15(14)24-10-5-4-6-11-24/h8-9,12H,2-7,10-11H2,1H3,(H2,22,23,25,26)