N-[3-(benzimidazol-1-yl)propyl]-3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxamide

Systemtic Name: N-[3-(benzimidazol-1-yl)propyl]-3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxamide Openeye Name: N-[3-(benzimidazol-1-yl)propyl]-3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxamide CAS Name: N-[3-(1-benzimidazolyl)propyl]-3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxamide IUPAC Name: N-[3-(benzimidazol-1-yl)propyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide Traditional Name: N-[3-(benzimidazol-1-yl)propyl]-3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxamide Formula: C21H20FN5OS MolecularWeight: 409.479803

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)NCCCN3C=NC4=CC=CC=C43

Isomeric SMILES

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)NCCCN3C=NC4=CC=CC=C43

InChI

InChI=1S/C21H20FN5OS/c1-29-21-24-13-19(27(21)16-9-7-15(22)8-10-16)20(28)23-11-4-12-26-14-25-17-5-2-3-6-18(17)26/h2-3,5-10,13-14H,4,11-12H2,1H3,(H,23,28)