2-[(6-bromanyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(furan-2-ylmethyl)ethanamide

Systemtic Name: 2-[(6-bromanyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[(6-bromo-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(2-furylmethyl)acetamide CAS Name: 2-[(6-bromo-1H-benzimidazol-3-ium-2-yl)thio]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[(6-bromo-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[(6-bromo-1H-benzimidazol-3-ium-2-yl)thio]-N-(2-furfuryl)acetamide Formula: C14H13BrN3O2S+ MolecularWeight: 367.24092

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)CSC2=[NH+]C3=C(N2)C=C(C=C3)Br

Isomeric SMILES

C1=COC(=C1)CNC(=O)CSC2=[NH+]C3=C(N2)C=C(C=C3)Br

InChI

InChI=1S/C14H12BrN3O2S/c15-9-3-4-11-12(6-9)18-14(17-11)21-8-13(19)16-7-10-2-1-5-20-10/h1-6H,7-8H2,(H,16,19)(H,17,18)/p+1