N-(4-methyl-1,3-thiazol-2-yl)-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-methyl-1,3-thiazol-2-yl)-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(4-methylthiazol-2-yl)acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-(4-methyl-2-thiazolyl)acetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(4-methylthiazol-2-yl)acetamide Formula: C19H17N4O3S3+ MolecularWeight: 445.55828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CSC(=N1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H16N4O3S3/c1-13-11-27-18(20-13)22-17(24)12-28-19-21-15-9-5-6-10-16(15)23(19)29(25,26)14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,20,22,24)/p+1