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

Systemtic Name: 2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)ethanamide Openeye Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)acetamide CAS Name: 2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)acetamide Formula: C21H22N5OS2+ MolecularWeight: 424.56228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(S1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=NN=C(S1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N5OS2/c1-14(2)19-24-25-20(29-19)23-18(27)13-28-21-22-16-10-6-7-11-17(16)26(21)12-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,23,25,27)/p+1