N-(2-tert-butylphenyl)-2-[5-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-tert-butylphenyl)-2-[5-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-tert-butylphenyl)-2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-(2-tert-butylphenyl)-2-[[5-chloro-1-(2-methoxyethyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(2-tert-butylphenyl)-2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide Traditional Name: N-(2-tert-butylphenyl)-2-[[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]thio]acetamide Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)CSC2=NC3=C(N2CCOC)C=CC(=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)CSC2=NC3=C(N2CCOC)C=CC(=C3)Cl

InChI

InChI=1S/C22H26ClN3O2S/c1-22(2,3)16-7-5-6-8-17(16)24-20(27)14-29-21-25-18-13-15(23)9-10-19(18)26(21)11-12-28-4/h5-10,13H,11-12,14H2,1-4H3,(H,24,27)