(2S)-2-acetamido-N-(3-morpholin-4-ylpropyl)-3-(4-phenoxyphenyl)sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-(3-morpholin-4-ylpropyl)-3-(4-phenoxyphenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-(3-morpholinopropyl)-3-(4-phenoxyphenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-[3-(4-morpholinyl)propyl]-3-[(4-phenoxyphenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-(3-morpholin-4-ylpropyl)-3-(4-phenoxyphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-(3-morpholinopropyl)-3-[(4-phenoxyphenyl)thio]propionamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)NCCCN3CCOCC3

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)NCCCN3CCOCC3

InChI

InChI=1S/C24H31N3O4S/c1-19(28)26-23(24(29)25-12-5-13-27-14-16-30-17-15-27)18-32-22-10-8-21(9-11-22)31-20-6-3-2-4-7-20/h2-4,6-11,23H,5,12-18H2,1H3,(H,25,29)(H,26,28)/t23-/m1/s1