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

Systemtic Name: (2S)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-(2-hydroxyethyl)-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-3-(3-bromophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide CAS Name: (2S)-2-acetamido-3-[(3-bromophenyl)thio]-N-(2-hydroxyethyl)-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-3-(3-bromophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide Traditional Name: (2S)-2-acetamido-N-benzyl-3-[(3-bromophenyl)thio]-N-(2-hydroxyethyl)propionamide Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC(=CC=C1)Br)C(=O)N(CCO)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC(=CC=C1)Br)C(=O)N(CCO)CC2=CC=CC=C2

InChI

InChI=1S/C20H23BrN2O3S/c1-15(25)22-19(14-27-18-9-5-8-17(21)12-18)20(26)23(10-11-24)13-16-6-3-2-4-7-16/h2-9,12,19,24H,10-11,13-14H2,1H3,(H,22,25)/t19-/m1/s1