N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(3-bromanyl-1-adamantyl)ethanamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(3-bromanyl-1-adamantyl)ethanamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(3-bromo-1-adamantyl)acetamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(3-bromo-1-adamantyl)acetamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(3-bromo-1-adamantyl)acetamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(3-bromo-1-adamantyl)acetamide Formula: C23H30BrN3OS MolecularWeight: 476.4728

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C23H30BrN3OS/c1-29-7-6-19(21-26-17-4-2-3-5-18(17)27-21)25-20(28)13-22-9-15-8-16(10-22)12-23(24,11-15)14-22/h2-5,15-16,19H,6-14H2,1H3,(H,25,28)(H,26,27)