1-butyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(2-phenylthiazol-4-yl)methylsulfanyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[(2-phenyl-4-thiazolyl)methylthio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[(2-phenylthiazol-4-yl)methylthio]benzimidazole-5-sulfonamide Formula: C21H22N4O2S3 MolecularWeight: 458.61998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2S3/c1-2-3-11-25-19-10-9-17(30(22,26)27)12-18(19)24-21(25)29-14-16-13-28-20(23-16)15-7-5-4-6-8-15/h4-10,12-13H,2-3,11,14H2,1H3,(H2,22,26,27)