N-(2-fluorophenyl)-2-[2-[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzimidazol-1-yl]ethanamide

Systemtic Name: N-(2-fluorophenyl)-2-[2-[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzimidazol-1-yl]ethanamide Openeye Name: 2-[2-[2-(1,1-dimethylpropylamino)-2-oxo-ethyl]sulfanylbenzimidazol-1-yl]-N-(2-fluorophenyl)acetamide CAS Name: N-(2-fluorophenyl)-2-[2-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]thio]-1-benzimidazolyl]acetamide IUPAC Name: N-(2-fluorophenyl)-2-[2-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide Traditional Name: 2-[2-[[2-(tert-amylamino)-2-keto-ethyl]thio]benzimidazol-1-yl]-N-(2-fluorophenyl)acetamide Formula: C22H25FN4O2S MolecularWeight: 428.522903

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)CSC1=NC2=CC=CC=C2N1CC(=O)NC3=CC=CC=C3F

Isomeric SMILES

CCC(C)(C)NC(=O)CSC1=NC2=CC=CC=C2N1CC(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C22H25FN4O2S/c1-4-22(2,3)26-20(29)14-30-21-25-17-11-7-8-12-18(17)27(21)13-19(28)24-16-10-6-5-9-15(16)23/h5-12H,4,13-14H2,1-3H3,(H,24,28)(H,26,29)