N-(tert-butylcarbamoyl)-2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(tert-butylcarbamoyl)-2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: 2-(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanyl-N-(tert-butylcarbamoyl)acetamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-N-(tert-butylcarbamoyl)acetamide Traditional Name: 2-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]-N-(tert-butylcarbamoyl)acetamide Formula: C21H23ClN4O2S MolecularWeight: 430.95092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)CSC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)Cl

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)CSC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)Cl

InChI

InChI=1S/C21H23ClN4O2S/c1-21(2,3)25-19(28)24-18(27)13-29-20-23-16-11-15(22)9-10-17(16)26(20)12-14-7-5-4-6-8-14/h4-11H,12-13H2,1-3H3,(H2,24,25,27,28)