N-(2-cyano-3-methyl-butan-2-yl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-propanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-propanamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[1-(4-methoxyphenyl)-2-benzimidazolyl]thio]propanamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]thio]propionamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NC2=CC=CC=C2N1C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NC2=CC=CC=C2N1C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H26N4O2S/c1-15(2)23(4,14-24)26-21(28)16(3)30-22-25-19-8-6-7-9-20(19)27(22)17-10-12-18(29-5)13-11-17/h6-13,15-16H,1-5H3,(H,26,28)