2-[2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]benzimidazol-1-yl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]benzimidazol-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]benzimidazol-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-1-benzimidazolyl]-N-tert-butylacetamide IUPAC Name: 2-[2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]benzimidazol-1-yl]-N-tert-butylacetamide Traditional Name: 2-[2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]benzimidazol-1-yl]-N-tert-butyl-acetamide Formula: C21H22BrN3O3S MolecularWeight: 476.38668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1C2=CC=CC=C2N=C1SCC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CC(C)(C)NC(=O)CN1C2=CC=CC=C2N=C1SCC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C21H22BrN3O3S/c1-21(2,3)24-19(26)10-25-16-7-5-4-6-15(16)23-20(25)29-11-13-8-17-18(9-14(13)22)28-12-27-17/h4-9H,10-12H2,1-3H3,(H,24,26)