2-[2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylethanoyl-methyl-amino]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylethanoyl-methyl-amino]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[[2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylacetyl]-methyl-amino]-N-(4-fluorophenyl)acetamide CAS Name: 2-[[2-[[1-(2-cyanoethyl)-2-benzimidazolyl]thio]-1-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[[2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[[2-[[1-(2-cyanoethyl)benzimidazol-2-yl]thio]acetyl]-methyl-amino]-N-(4-fluorophenyl)acetamide Formula: C21H20FN5O2S MolecularWeight: 425.479203

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)CSC2=NC3=CC=CC=C3N2CCC#N

Isomeric SMILES

CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)CSC2=NC3=CC=CC=C3N2CCC#N

InChI

InChI=1S/C21H20FN5O2S/c1-26(13-19(28)24-16-9-7-15(22)8-10-16)20(29)14-30-21-25-17-5-2-3-6-18(17)27(21)12-4-11-23/h2-3,5-10H,4,12-14H2,1H3,(H,24,28)