2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)propanamide

Systemtic Name: 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)propanamide Openeye Name: 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)propanamide CAS Name: 2-[[1-(2-cyanoethyl)-2-benzimidazolyl]thio]-N-(2,4,6-trimethylphenyl)propanamide IUPAC Name: 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)propanamide Traditional Name: 2-[[1-(2-cyanoethyl)benzimidazol-2-yl]thio]-N-mesityl-propionamide Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)SC2=NC3=CC=CC=C3N2CCC#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C(C)SC2=NC3=CC=CC=C3N2CCC#N)C

InChI

InChI=1S/C22H24N4OS/c1-14-12-15(2)20(16(3)13-14)25-21(27)17(4)28-22-24-18-8-5-6-9-19(18)26(22)11-7-10-23/h5-6,8-9,12-13,17H,7,11H2,1-4H3,(H,25,27)