2-(1H-imidazol-2-ylsulfanyl)-N-[4-methoxy-2-(phenylcarbonyl)phenyl]-N-methyl-ethanamide hydrobromide

Systemtic Name: 2-(1H-imidazol-2-ylsulfanyl)-N-[4-methoxy-2-(phenylcarbonyl)phenyl]-N-methyl-ethanamide hydrobromide Openeye Name: N-(2-benzoyl-4-methoxy-phenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methyl-acetamide hydrobromide CAS Name: N-(2-benzoyl-4-methoxyphenyl)-2-(1H-imidazol-2-ylthio)-N-methylacetamide hydrobromide IUPAC Name: N-(2-benzoyl-4-methoxyphenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide hydrobromide Traditional Name: N-(2-benzoyl-4-methoxy-phenyl)-2-(1H-imidazol-2-ylthio)-N-methyl-acetamide hydrobromide Formula: C20H20BrN3O3S MolecularWeight: 462.3601

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=C(C=C1)OC)C(=O)C2=CC=CC=C2)C(=O)CSC3=NC=CN3.Br

Isomeric SMILES

CN(C1=C(C=C(C=C1)OC)C(=O)C2=CC=CC=C2)C(=O)CSC3=NC=CN3.Br

InChI

InChI=1S/C20H19N3O3S.BrH/c1-23(18(24)13-27-20-21-10-11-22-20)17-9-8-15(26-2)12-16(17)19(25)14-6-4-3-5-7-14;/h3-12H,13H2,1-2H3,(H,21,22);1H