(2S)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-(phenylmethyl)propanamide

Systemtic Name: (2S)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-3-(3-bromophenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-3-[(3-bromophenyl)thio]-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-3-(3-bromophenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-benzyl-3-[(3-bromophenyl)thio]propionamide Formula: C18H19BrN2O2S MolecularWeight: 407.32466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC(=CC=C1)Br)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC(=CC=C1)Br)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C18H19BrN2O2S/c1-13(22)21-17(12-24-16-9-5-8-15(19)10-16)18(23)20-11-14-6-3-2-4-7-14/h2-10,17H,11-12H2,1H3,(H,20,23)(H,21,22)/t17-/m1/s1