2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-N-(3-nitrophenyl)butanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-N-(3-nitrophenyl)butanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-N-(3-nitrophenyl)butanamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)-N-(3-nitrophenyl)butanamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanyl-N-(3-nitrophenyl)butanamide Traditional Name: 4-(methylthio)-N-(3-nitrophenyl)-2-phthalimido-butyramide Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CSCCC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C19H17N3O5S/c1-28-10-9-16(17(23)20-12-5-4-6-13(11-12)22(26)27)21-18(24)14-7-2-3-8-15(14)19(21)25/h2-8,11,16H,9-10H2,1H3,(H,20,23)