N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(1-phenylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[(1-phenyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[(1-phenylbenzimidazol-2-yl)thio]acetamide Formula: C22H15F2N3O3S MolecularWeight: 439.434606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC4=CC5=C(C=C4)OC(O5)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC4=CC5=C(C=C4)OC(O5)(F)F

InChI

InChI=1S/C22H15F2N3O3S/c23-22(24)29-18-11-10-14(12-19(18)30-22)25-20(28)13-31-21-26-16-8-4-5-9-17(16)27(21)15-6-2-1-3-7-15/h1-12H,13H2,(H,25,28)