(2S)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide

Systemtic Name: (2S)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide Openeye Name: (2S)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-(2-pyridylmethyl)propanamide CAS Name: (2S)-2-acetamido-3-[(3-bromophenyl)thio]-N-(2-pyridinylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide Traditional Name: (2S)-2-acetamido-3-[(3-bromophenyl)thio]-N-(2-pyridylmethyl)propionamide Formula: C17H18BrN3O2S MolecularWeight: 408.31272

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC(=CC=C1)Br)C(=O)NCC2=CC=CC=N2

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC(=CC=C1)Br)C(=O)NCC2=CC=CC=N2

InChI

InChI=1S/C17H18BrN3O2S/c1-12(22)21-16(11-24-15-7-4-5-13(18)9-15)17(23)20-10-14-6-2-3-8-19-14/h2-9,16H,10-11H2,1H3,(H,20,23)(H,21,22)/t16-/m1/s1