N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(4-bromanyl-2-fluoranyl-phenoxy)ethanamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(4-bromanyl-2-fluoranyl-phenoxy)ethanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(4-bromo-2-fluoro-phenoxy)acetamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(4-bromo-2-fluorophenoxy)acetamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(4-bromo-2-fluorophenoxy)acetamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(4-bromo-2-fluoro-phenoxy)acetamide Formula: C19H19BrFN3O2S MolecularWeight: 452.340463

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)COC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)COC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C19H19BrFN3O2S/c1-27-9-8-16(19-23-14-4-2-3-5-15(14)24-19)22-18(25)11-26-17-7-6-12(20)10-13(17)21/h2-7,10,16H,8-9,11H2,1H3,(H,22,25)(H,23,24)/t16-/m0/s1