N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanamide Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]acetamide CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]acetamide IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]acetamide Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]acetamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2N1)NC(=O)CSCC3=C(C=CC(=C3)C(=O)C)OC

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)CSCC3=C(C=CC(=C3)C(=O)C)OC

InChI

InChI=1S/C21H23N3O3S/c1-13(21-23-17-6-4-5-7-18(17)24-21)22-20(26)12-28-11-16-10-15(14(2)25)8-9-19(16)27-3/h4-10,13H,11-12H2,1-3H3,(H,22,26)(H,23,24)/t13-/m0/s1