N-(2,6-dimethylphenyl)-2-(5-methylsulfonyl-1-propan-2-yl-benzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-(5-methylsulfonyl-1-propan-2-yl-benzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-(1-isopropyl-5-methylsulfonyl-benzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[(5-methylsulfonyl-1-propan-2-yl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-(5-methylsulfonyl-1-propan-2-ylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[(1-isopropyl-5-mesyl-benzimidazol-2-yl)thio]acetamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC3=C(N2C(C)C)C=CC(=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC3=C(N2C(C)C)C=CC(=C3)S(=O)(=O)C

InChI

InChI=1S/C21H25N3O3S2/c1-13(2)24-18-10-9-16(29(5,26)27)11-17(18)22-21(24)28-12-19(25)23-20-14(3)7-6-8-15(20)4/h6-11,13H,12H2,1-5H3,(H,23,25)