3-nitro-N-[(2S)-1-oxidanylidene-1-(2-phenylsulfanylethylamino)propan-2-yl]benzamide

Systemtic Name: 3-nitro-N-[(2S)-1-oxidanylidene-1-(2-phenylsulfanylethylamino)propan-2-yl]benzamide Openeye Name: N-[(1S)-1-methyl-2-oxo-2-(2-phenylsulfanylethylamino)ethyl]-3-nitro-benzamide CAS Name: 3-nitro-N-[(2S)-1-oxo-1-[2-(phenylthio)ethylamino]propan-2-yl]benzamide IUPAC Name: 3-nitro-N-[(2S)-1-oxo-1-(2-phenylsulfanylethylamino)propan-2-yl]benzamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-[2-(phenylthio)ethylamino]ethyl]-3-nitro-benzamide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCSC1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCCSC1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4S/c1-13(17(22)19-10-11-26-16-8-3-2-4-9-16)20-18(23)14-6-5-7-15(12-14)21(24)25/h2-9,12-13H,10-11H2,1H3,(H,19,22)(H,20,23)/t13-/m0/s1