(2S)-N-(4-methylsulfanylphenyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide

Systemtic Name: (2S)-N-(4-methylsulfanylphenyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: (2S)-N-(4-methylsulfanylphenyl)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: (2S)-N-[4-(methylthio)phenyl]-2-(4-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: (2S)-N-(4-methylsulfanylphenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: (2S)-2-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-[4-(methylthio)phenyl]propionamide Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)SC)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)SC)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5S/c1-10(16(22)19-11-6-8-12(27-2)9-7-11)20-17(23)13-4-3-5-14(21(25)26)15(13)18(20)24/h3-10H,1-2H3,(H,19,22)/t10-/m0/s1