(2R)-2-acetamido-N-[(2S)-2-ethylhexyl]-3-(4-phenoxyphenyl)sulfanyl-propanamide

Systemtic Name: (2R)-2-acetamido-N-[(2S)-2-ethylhexyl]-3-(4-phenoxyphenyl)sulfanyl-propanamide Openeye Name: (2R)-2-acetamido-N-[(2S)-2-ethylhexyl]-3-(4-phenoxyphenyl)sulfanyl-propanamide CAS Name: (2R)-2-acetamido-N-[(2S)-2-ethylhexyl]-3-[(4-phenoxyphenyl)thio]propanamide IUPAC Name: (2R)-2-acetamido-N-[(2S)-2-ethylhexyl]-3-(4-phenoxyphenyl)sulfanylpropanamide Traditional Name: (2R)-2-acetamido-N-[(2S)-2-ethylhexyl]-3-[(4-phenoxyphenyl)thio]propionamide Formula: C25H34N2O3S MolecularWeight: 442.61406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C(CSC1=CC=C(C=C1)OC2=CC=CC=C2)NC(=O)C

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)[C@H](CSC1=CC=C(C=C1)OC2=CC=CC=C2)NC(=O)C

InChI

InChI=1S/C25H34N2O3S/c1-4-6-10-20(5-2)17-26-25(29)24(27-19(3)28)18-31-23-15-13-22(14-16-23)30-21-11-8-7-9-12-21/h7-9,11-16,20,24H,4-6,10,17-18H2,1-3H3,(H,26,29)(H,27,28)/t20-,24-/m0/s1