N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(2-bromo-4,5-dimethoxy-phenyl)acetamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(2-bromo-4,5-dimethoxyphenyl)acetamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(2-bromo-4,5-dimethoxyphenyl)acetamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(2-bromo-4,5-dimethoxy-phenyl)acetamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2)Br)OC

InChI

InChI=1S/C21H24BrN3O3S/c1-27-18-10-13(14(22)12-19(18)28-2)11-20(26)23-17(8-9-29-3)21-24-15-6-4-5-7-16(15)25-21/h4-7,10,12,17H,8-9,11H2,1-3H3,(H,23,26)(H,24,25)/t17-/m0/s1