1-butyl-2-[(4-methylsulfanylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(4-methylsulfanylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(4-methylsulfanylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[4-(methylthio)phenyl]methylthio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(4-methylsulfanylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[4-(methylthio)benzyl]thio]benzimidazole-5-sulfonamide Formula: C19H23N3O2S3 MolecularWeight: 421.59982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC=C(C=C3)SC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC=C(C=C3)SC

InChI

InChI=1S/C19H23N3O2S3/c1-3-4-11-22-18-10-9-16(27(20,23)24)12-17(18)21-19(22)26-13-14-5-7-15(25-2)8-6-14/h5-10,12H,3-4,11,13H2,1-2H3,(H2,20,23,24)