2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide

Systemtic Name: 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide Openeye Name: 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(4-morpholinosulfonylphenyl)propanamide CAS Name: 2-[[1-(2-cyanoethyl)-2-benzimidazolyl]thio]-N-[4-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: 2-[[1-(2-cyanoethyl)benzimidazol-2-yl]thio]-N-(4-morpholinosulfonylphenyl)propionamide Formula: C23H25N5O4S2 MolecularWeight: 499.6057

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)SC3=NC4=CC=CC=C4N3CCC#N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)SC3=NC4=CC=CC=C4N3CCC#N

InChI

InChI=1S/C23H25N5O4S2/c1-17(33-23-26-20-5-2-3-6-21(20)28(23)12-4-11-24)22(29)25-18-7-9-19(10-8-18)34(30,31)27-13-15-32-16-14-27/h2-3,5-10,17H,4,12-16H2,1H3,(H,25,29)