2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-[1-(4-fluorophenyl)ethyl]propanamide

Systemtic Name: 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-[1-(4-fluorophenyl)ethyl]propanamide Openeye Name: 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-[1-(4-fluorophenyl)ethyl]propanamide CAS Name: 2-[[1-(2-cyanoethyl)-2-benzimidazolyl]thio]-N-[1-(4-fluorophenyl)ethyl]propanamide IUPAC Name: 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-[1-(4-fluorophenyl)ethyl]propanamide Traditional Name: 2-[[1-(2-cyanoethyl)benzimidazol-2-yl]thio]-N-[1-(4-fluorophenyl)ethyl]propionamide Formula: C21H21FN4OS MolecularWeight: 396.481043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)NC(=O)C(C)SC2=NC3=CC=CC=C3N2CCC#N

Isomeric SMILES

CC(C1=CC=C(C=C1)F)NC(=O)C(C)SC2=NC3=CC=CC=C3N2CCC#N

InChI

InChI=1S/C21H21FN4OS/c1-14(16-8-10-17(22)11-9-16)24-20(27)15(2)28-21-25-18-6-3-4-7-19(18)26(21)13-5-12-23/h3-4,6-11,14-15H,5,13H2,1-2H3,(H,24,27)