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

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-bromanyl-5-fluoranyl-benzamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-bromo-5-fluoro-benzamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-bromo-5-fluorobenzamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-bromo-5-fluorobenzamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-bromo-5-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=CC(=CC(=C3)Br)F

Isomeric SMILES

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

InChI

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