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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)NCCC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)NCCC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C21H23N3O3S/c1-14(25)15-7-8-19(27-2)16(11-15)12-28-13-21(26)22-10-9-20-23-17-5-3-4-6-18(17)24-20/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,26)(H,23,24)