N-butyl-2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-butyl-2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-butyl-2-[1-(p-tolylsulfonyl)benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-butyl-2-[[1-(4-methylphenyl)sulfonyl-2-benzimidazolyl]thio]acetamide IUPAC Name: N-butyl-2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylacetamide Traditional Name: N-butyl-2-[(1-tosylbenzimidazol-2-yl)thio]acetamide Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H23N3O3S2/c1-3-4-13-21-19(24)14-27-20-22-17-7-5-6-8-18(17)23(20)28(25,26)16-11-9-15(2)10-12-16/h5-12H,3-4,13-14H2,1-2H3,(H,21,24)