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

Systemtic Name: (2S)-2-acetamido-3-(3-nitrophenyl)sulfanyl-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-3-(3-nitrophenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-3-[(3-nitrophenyl)thio]-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-3-(3-nitrophenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-benzyl-3-[(3-nitrophenyl)thio]propionamide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=CC(=C1)[N+](=O)[O-])C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=CC(=C1)[N+](=O)[O-])C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C18H19N3O4S/c1-13(22)20-17(18(23)19-11-14-6-3-2-4-7-14)12-26-16-9-5-8-15(10-16)21(24)25/h2-10,17H,11-12H2,1H3,(H,19,23)(H,20,22)/t17-/m1/s1