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

Systemtic Name: (2S)-2-acetamido-N-(3-morpholin-4-ylpropyl)-3-(3-nitrophenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-(3-morpholinopropyl)-3-(3-nitrophenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-[3-(4-morpholinyl)propyl]-3-[(3-nitrophenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-(3-morpholin-4-ylpropyl)-3-(3-nitrophenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-(3-morpholinopropyl)-3-[(3-nitrophenyl)thio]propionamide Formula: C18H26N4O5S MolecularWeight: 410.48784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=CC(=C1)[N+](=O)[O-])C(=O)NCCCN2CCOCC2

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=CC(=C1)[N+](=O)[O-])C(=O)NCCCN2CCOCC2

InChI

InChI=1S/C18H26N4O5S/c1-14(23)20-17(13-28-16-5-2-4-15(12-16)22(25)26)18(24)19-6-3-7-21-8-10-27-11-9-21/h2,4-5,12,17H,3,6-11,13H2,1H3,(H,19,24)(H,20,23)/t17-/m1/s1