N-(4-bromanyl-2-methyl-phenyl)-2-(phenylmethylsulfanyl)benzamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-(phenylmethylsulfanyl)benzamide Openeye Name: 2-benzylsulfanyl-N-(4-bromo-2-methyl-phenyl)benzamide CAS Name: N-(4-bromo-2-methylphenyl)-2-(phenylmethylthio)benzamide IUPAC Name: 2-benzylsulfanyl-N-(4-bromo-2-methylphenyl)benzamide Traditional Name: 2-(benzylthio)-N-(4-bromo-2-methyl-phenyl)benzamide Formula: C21H18BrNOS MolecularWeight: 412.34272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C2=CC=CC=C2SCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C2=CC=CC=C2SCC3=CC=CC=C3

InChI

InChI=1S/C21H18BrNOS/c1-15-13-17(22)11-12-19(15)23-21(24)18-9-5-6-10-20(18)25-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,23,24)