(2S)-2-acetamido-N-methyl-3-(4-phenylmethoxyphenyl)sulfanyl-N-(phenylmethyl)propanamide

Systemtic Name: (2S)-2-acetamido-N-methyl-3-(4-phenylmethoxyphenyl)sulfanyl-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-3-(4-benzyloxyphenyl)sulfanyl-N-methyl-propanamide CAS Name: (2S)-2-acetamido-N-methyl-3-[(4-phenylmethoxyphenyl)thio]-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-N-methyl-3-(4-phenylmethoxyphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-3-[(4-benzoxyphenyl)thio]-N-benzyl-N-methyl-propionamide Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)N(C)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C26H28N2O3S/c1-20(29)27-25(26(30)28(2)17-21-9-5-3-6-10-21)19-32-24-15-13-23(14-16-24)31-18-22-11-7-4-8-12-22/h3-16,25H,17-19H2,1-2H3,(H,27,29)/t25-/m1/s1