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

Systemtic Name: (2S)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-phenethyl-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-3-(3-bromophenyl)sulfanyl-N-phenethyl-propanamide CAS Name: (2S)-2-acetamido-3-[(3-bromophenyl)thio]-N-phenethyl-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-3-(3-bromophenyl)sulfanyl-N-phenethylpropanamide Traditional Name: (2S)-2-acetamido-N-benzyl-3-[(3-bromophenyl)thio]-N-phenethyl-propionamide Formula: C26H27BrN2O2S MolecularWeight: 511.47378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC(=CC=C1)Br)C(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC(=CC=C1)Br)C(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C26H27BrN2O2S/c1-20(30)28-25(19-32-24-14-8-13-23(27)17-24)26(31)29(18-22-11-6-3-7-12-22)16-15-21-9-4-2-5-10-21/h2-14,17,25H,15-16,18-19H2,1H3,(H,28,30)/t25-/m1/s1