(2S)-2-acetamido-N-methyl-3-(3-nitrophenyl)sulfanyl-N-(phenylmethyl)propanamide

Systemtic Name: (2S)-2-acetamido-N-methyl-3-(3-nitrophenyl)sulfanyl-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-N-methyl-3-(3-nitrophenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-methyl-3-[(3-nitrophenyl)thio]-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-N-methyl-3-(3-nitrophenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-benzyl-N-methyl-3-[(3-nitrophenyl)thio]propionamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=CC(=C1)[N+](=O)[O-])C(=O)N(C)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=CC(=C1)[N+](=O)[O-])C(=O)N(C)CC2=CC=CC=C2

InChI

InChI=1S/C19H21N3O4S/c1-14(23)20-18(13-27-17-10-6-9-16(11-17)22(25)26)19(24)21(2)12-15-7-4-3-5-8-15/h3-11,18H,12-13H2,1-2H3,(H,20,23)/t18-/m1/s1