(2S)-N-[(2S)-5-methylhexan-2-yl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: (2S)-N-[(2S)-5-methylhexan-2-yl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: (2S)-N-[(1S)-1,4-dimethylpentyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: (2S)-N-[(2S)-5-methylhexan-2-yl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: (2S)-N-[(2S)-5-methylhexan-2-yl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: (2S)-N-[(1S)-1,4-dimethylpentyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C16H24N2O3S MolecularWeight: 324.43836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](CCC(C)C)NC(=O)[C@H](C)SC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C16H24N2O3S/c1-11(2)5-6-12(3)17-16(19)13(4)22-15-9-7-14(8-10-15)18(20)21/h7-13H,5-6H2,1-4H3,(H,17,19)/t12-,13-/m0/s1