2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(2-chloranyl-5-nitro-phenyl)-4-methylsulfanyl-butanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(2-chloranyl-5-nitro-phenyl)-4-methylsulfanyl-butanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-4-(methylthio)-2-phthalimido-butyramide Formula: C19H16ClN3O5S MolecularWeight: 433.86544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN3O5S/c1-29-9-8-16(22-18(25)12-4-2-3-5-13(12)19(22)26)17(24)21-15-10-11(23(27)28)6-7-14(15)20/h2-7,10,16H,8-9H2,1H3,(H,21,24)