N-(2-methylpropyl)-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-(2-methylpropyl)-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-isobutyl-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-(2-methylpropyl)-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-(2-methylpropyl)-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-isobutyl-2-[(4-nitrophenyl)thio]propionamide Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)SC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC(=O)C(C)SC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O3S/c1-9(2)8-14-13(16)10(3)19-12-6-4-11(5-7-12)15(17)18/h4-7,9-10H,8H2,1-3H3,(H,14,16)