(2R)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide

Systemtic Name: (2R)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide Openeye Name: (2R)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-(p-tolylmethyl)propanamide CAS Name: (2R)-2-acetamido-3-[(3-bromophenyl)thio]-N-[(4-methylphenyl)methyl]propanamide IUPAC Name: (2R)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide Traditional Name: (2R)-2-acetamido-3-[(3-bromophenyl)thio]-N-(4-methylbenzyl)propionamide Formula: C19H21BrN2O2S MolecularWeight: 421.35124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(CSC2=CC(=CC=C2)Br)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](CSC2=CC(=CC=C2)Br)NC(=O)C

InChI

InChI=1S/C19H21BrN2O2S/c1-13-6-8-15(9-7-13)11-21-19(24)18(22-14(2)23)12-25-17-5-3-4-16(20)10-17/h3-10,18H,11-12H2,1-2H3,(H,21,24)(H,22,23)/t18-/m0/s1