1-butyl-2-[[5-[(3-fluorophenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[[5-[(3-fluorophenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzimidazole-5-sulfonamide Formula: C20H21FN6O2S3 MolecularWeight: 492.613143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NN=C(S3)NC4=CC(=CC=C4)F

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NN=C(S3)NC4=CC(=CC=C4)F

InChI

InChI=1S/C20H21FN6O2S3/c1-2-3-9-27-17-8-7-15(32(22,28)29)11-16(17)24-18(27)12-30-20-26-25-19(31-20)23-14-6-4-5-13(21)10-14/h4-8,10-11H,2-3,9,12H2,1H3,(H,23,25)(H2,22,28,29)