N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-(3-bromanylphenoxy)butanamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-(3-bromanylphenoxy)butanamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-(3-bromophenoxy)butanamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-(3-bromophenoxy)butanamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-(3-bromophenoxy)butanamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-(3-bromophenoxy)butyramide Formula: C21H24BrN3O2S MolecularWeight: 462.40316

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CCCOC3=CC(=CC=C3)Br

Isomeric SMILES

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CCCOC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H24BrN3O2S/c1-28-13-11-19(21-24-17-8-2-3-9-18(17)25-21)23-20(26)10-5-12-27-16-7-4-6-15(22)14-16/h2-4,6-9,14,19H,5,10-13H2,1H3,(H,23,26)(H,24,25)