(2S)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-tert-butyl-propanamide

Systemtic Name: (2S)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-tert-butyl-propanamide Openeye Name: (2S)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-tert-butyl-propanamide CAS Name: (2S)-2-acetamido-3-[(3-bromophenyl)thio]-N-tert-butylpropanamide IUPAC Name: (2S)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-tert-butylpropanamide Traditional Name: (2S)-2-acetamido-3-[(3-bromophenyl)thio]-N-tert-butyl-propionamide Formula: C15H21BrN2O2S MolecularWeight: 373.30844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21BrN2O2S/c1-10(19)17-13(14(20)18-15(2,3)4)9-21-12-7-5-6-11(16)8-12/h5-8,13H,9H2,1-4H3,(H,17,19)(H,18,20)/t13-/m1/s1