N-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl]methanesulfonamide

Systemtic Name: N-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl]methanesulfonamide Openeye Name: N-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl]methanesulfonamide CAS Name: N-[2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methylphenyl]thio]ethyl]methanesulfonamide IUPAC Name: N-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylphenyl]sulfanylethyl]methanesulfonamide Traditional Name: N-[2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methyl-phenyl]thio]ethyl]methanesulfonamide Formula: C18H21N3O2S3 MolecularWeight: 407.57324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCCNS(=O)(=O)C)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=C(C=CC=C1SCCNS(=O)(=O)C)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C18H21N3O2S3/c1-13-14(6-5-9-17(13)24-11-10-19-26(2,22)23)12-25-18-20-15-7-3-4-8-16(15)21-18/h3-9,19H,10-12H2,1-2H3,(H,20,21)