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

Systemtic Name: (2S)-2-acetamido-N-methyl-3-(4-phenoxyphenyl)sulfanyl-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-N-methyl-3-(4-phenoxyphenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-methyl-3-[(4-phenoxyphenyl)thio]-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-N-methyl-3-(4-phenoxyphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-benzyl-N-methyl-3-[(4-phenoxyphenyl)thio]propionamide Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)N(C)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C25H26N2O3S/c1-19(28)26-24(25(29)27(2)17-20-9-5-3-6-10-20)18-31-23-15-13-22(14-16-23)30-21-11-7-4-8-12-21/h3-16,24H,17-18H2,1-2H3,(H,26,28)/t24-/m1/s1