2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]ethanamide

Systemtic Name: 2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: N-[(1S)-1-methylbutyl]-2-[1-(p-tolyl)benzimidazol-2-yl]sulfanyl-acetamide CAS Name: 2-[[1-(4-methylphenyl)-2-benzimidazolyl]thio]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide Traditional Name: N-[(1S)-1-methylbutyl]-2-[[1-(p-tolyl)benzimidazol-2-yl]thio]acetamide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NC2=CC=CC=C2N1C3=CC=C(C=C3)C

Isomeric SMILES

CCC[C@H](C)NC(=O)CSC1=NC2=CC=CC=C2N1C3=CC=C(C=C3)C

InChI

InChI=1S/C21H25N3OS/c1-4-7-16(3)22-20(25)14-26-21-23-18-8-5-6-9-19(18)24(21)17-12-10-15(2)11-13-17/h5-6,8-13,16H,4,7,14H2,1-3H3,(H,22,25)/t16-/m0/s1