2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)ethanamide

Systemtic Name: 2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)ethanamide Openeye Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)acetamide Formula: C20H20N5O3S3+ MolecularWeight: 474.5995

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(S1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=NN=C(S1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H19N5O3S3/c1-13(2)18-23-24-19(30-18)22-17(26)12-29-20-21-15-10-6-7-11-16(15)25(20)31(27,28)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,22,24,26)/p+1