3-[(4-methylsulfanylphenyl)amino]-1-propan-2-yl-pyrrolidine-2,5-dione

Systemtic Name: 3-[(4-methylsulfanylphenyl)amino]-1-propan-2-yl-pyrrolidine-2,5-dione Openeye Name: 1-isopropyl-3-(4-methylsulfanylanilino)pyrrolidine-2,5-dione CAS Name: 3-[4-(methylthio)anilino]-1-propan-2-ylpyrrolidine-2,5-dione IUPAC Name: 3-(4-methylsulfanylanilino)-1-propan-2-ylpyrrolidine-2,5-dione Traditional Name: 1-isopropyl-3-[4-(methylthio)anilino]pyrrolidine-2,5-quinone Formula: C14H18N2O2S MolecularWeight: 278.36992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)CC(C1=O)NC2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)N1C(=O)CC(C1=O)NC2=CC=C(C=C2)SC

InChI

InChI=1S/C14H18N2O2S/c1-9(2)16-13(17)8-12(14(16)18)15-10-4-6-11(19-3)7-5-10/h4-7,9,12,15H,8H2,1-3H3