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

Systemtic Name: 2-[2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]benzimidazol-1-yl]-N-cyclopentyl-ethanamide Openeye Name: 2-[2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]benzimidazol-1-yl]-N-cyclopentyl-acetamide CAS Name: 2-[2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-1-benzimidazolyl]-N-cyclopentylacetamide IUPAC Name: 2-[2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]benzimidazol-1-yl]-N-cyclopentylacetamide Traditional Name: 2-[2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]benzimidazol-1-yl]-N-cyclopentyl-acetamide Formula: C22H22BrN3O3S MolecularWeight: 488.39738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CN2C3=CC=CC=C3N=C2SCC4=CC5=C(C=C4Br)OCO5

Isomeric SMILES

C1CCC(C1)NC(=O)CN2C3=CC=CC=C3N=C2SCC4=CC5=C(C=C4Br)OCO5

InChI

InChI=1S/C22H22BrN3O3S/c23-16-10-20-19(28-13-29-20)9-14(16)12-30-22-25-17-7-3-4-8-18(17)26(22)11-21(27)24-15-5-1-2-6-15/h3-4,7-10,15H,1-2,5-6,11-13H2,(H,24,27)