2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-N-[[2-(1-imidazolylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-N-[2-(imidazol-1-ylmethyl)benzyl]acetamide Formula: C21H22BrN3OS MolecularWeight: 444.38788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NCC2=CC=CC=C2CN3C=CN=C3

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NCC2=CC=CC=C2CN3C=CN=C3

InChI

InChI=1S/C21H22BrN3OS/c1-15-10-20(16(2)9-19(15)22)27-13-21(26)24-11-17-5-3-4-6-18(17)12-25-8-7-23-14-25/h3-10,14H,11-13H2,1-2H3,(H,24,26)