N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(trifluoromethyl)cyclohexanecarboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(trifluoromethyl)-1-cyclohexanecarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(trifluoromethyl)cyclohexanecarboxamide Formula: C19H24F3N3OS MolecularWeight: 399.47357

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3CCCC(C3)C(F)(F)F

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3CCCC(C3)C(F)(F)F

InChI

InChI=1S/C19H24F3N3OS/c1-27-10-9-16(17-23-14-7-2-3-8-15(14)24-17)25-18(26)12-5-4-6-13(11-12)19(20,21)22/h2-3,7-8,12-13,16H,4-6,9-11H2,1H3,(H,23,24)(H,25,26)/t12?,13?,16-/m0/s1