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

Systemtic Name: 1-butyl-2-[[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[2-(4-methylanilino)thiazol-4-yl]methylsulfanyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[2-(4-methylanilino)-4-thiazolyl]methylthio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[2-(p-toluidino)thiazol-4-yl]methylthio]benzimidazole-5-sulfonamide Formula: C22H25N5O2S3 MolecularWeight: 487.6612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CSC(=N3)NC4=CC=C(C=C4)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CSC(=N3)NC4=CC=C(C=C4)C

InChI

InChI=1S/C22H25N5O2S3/c1-3-4-11-27-20-10-9-18(32(23,28)29)12-19(20)26-22(27)31-14-17-13-30-21(25-17)24-16-7-5-15(2)6-8-16/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,24,25)(H2,23,28,29)