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

Systemtic Name: 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[[2-(4-fluorophenyl)thiazol-4-yl]methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-(4-fluorophenyl)-4-thiazolyl]methylthio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-(4-fluorophenyl)thiazol-4-yl]methylthio]-1-propyl-benzimidazole-5-sulfonamide Formula: C20H19FN4O2S3 MolecularWeight: 462.583863

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CSC(=N3)C4=CC=C(C=C4)F

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CSC(=N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H19FN4O2S3/c1-2-9-25-18-8-7-16(30(22,26)27)10-17(18)24-20(25)29-12-15-11-28-19(23-15)13-3-5-14(21)6-4-13/h3-8,10-11H,2,9,12H2,1H3,(H2,22,26,27)