(2S)-N-(4-methylphenyl)-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(4-methylphenyl)-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: (2S)-2-(4-nitrophenyl)sulfanyl-N-(p-tolyl)propanamide CAS Name: (2S)-N-(4-methylphenyl)-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: (2S)-N-(4-methylphenyl)-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: (2S)-2-[(4-nitrophenyl)thio]-N-(p-tolyl)propionamide Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O3S/c1-11-3-5-13(6-4-11)17-16(19)12(2)22-15-9-7-14(8-10-15)18(20)21/h3-10,12H,1-2H3,(H,17,19)/t12-/m0/s1