N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-5-bromanyl-2-fluoranyl-benzamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-5-bromanyl-2-fluoranyl-benzamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-5-bromo-2-fluoro-benzamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-5-bromo-2-fluorobenzamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-5-bromo-2-fluorobenzamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-5-bromo-2-fluoro-benzamide Formula: C18H17BrFN3OS MolecularWeight: 422.314483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrFN3OS/c1-25-9-8-16(17-21-14-4-2-3-5-15(14)22-17)23-18(24)12-10-11(19)6-7-13(12)20/h2-7,10,16H,8-9H2,1H3,(H,21,22)(H,23,24)/t16-/m0/s1