(2R)-2-acetamido-N-butyl-N-ethyl-3-(3-nitrophenyl)sulfanyl-propanamide

Systemtic Name: (2R)-2-acetamido-N-butyl-N-ethyl-3-(3-nitrophenyl)sulfanyl-propanamide Openeye Name: (2R)-2-acetamido-N-butyl-N-ethyl-3-(3-nitrophenyl)sulfanyl-propanamide CAS Name: (2R)-2-acetamido-N-butyl-N-ethyl-3-[(3-nitrophenyl)thio]propanamide IUPAC Name: (2R)-2-acetamido-N-butyl-N-ethyl-3-(3-nitrophenyl)sulfanylpropanamide Traditional Name: (2R)-2-acetamido-N-butyl-N-ethyl-3-[(3-nitrophenyl)thio]propionamide Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O4S/c1-4-6-10-19(5-2)17(22)16(18-13(3)21)12-25-15-9-7-8-14(11-15)20(23)24/h7-9,11,16H,4-6,10,12H2,1-3H3,(H,18,21)/t16-/m0/s1