(2S)-2-acetamido-N-[(4-methoxyphenyl)methyl]-3-(4-phenoxyphenyl)sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-[(4-methoxyphenyl)methyl]-3-(4-phenoxyphenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-[(4-methoxyphenyl)methyl]-3-(4-phenoxyphenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-[(4-methoxyphenyl)methyl]-3-[(4-phenoxyphenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-[(4-methoxyphenyl)methyl]-3-(4-phenoxyphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-p-anisyl-3-[(4-phenoxyphenyl)thio]propionamide Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C25H26N2O4S/c1-18(28)27-24(25(29)26-16-19-8-10-20(30-2)11-9-19)17-32-23-14-12-22(13-15-23)31-21-6-4-3-5-7-21/h3-15,24H,16-17H2,1-2H3,(H,26,29)(H,27,28)/t24-/m1/s1