N-(4-bromanyl-3-methyl-phenyl)-2-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-(phenylmethylsulfanyl)propanamide Openeye Name: 2-benzylsulfanyl-N-(4-bromo-3-methyl-phenyl)propanamide CAS Name: N-(4-bromo-3-methylphenyl)-2-(phenylmethylthio)propanamide IUPAC Name: 2-benzylsulfanyl-N-(4-bromo-3-methylphenyl)propanamide Traditional Name: 2-(benzylthio)-N-(4-bromo-3-methyl-phenyl)propionamide Formula: C17H18BrNOS MolecularWeight: 364.29992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(C)SCC2=CC=CC=C2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(C)SCC2=CC=CC=C2)Br

InChI

InChI=1S/C17H18BrNOS/c1-12-10-15(8-9-16(12)18)19-17(20)13(2)21-11-14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,19,20)