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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1SC)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

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