2-butyl-N-(3-methylsulfanylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-butyl-N-(3-methylsulfanylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-butyl-N-(3-methylsulfanylphenyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-butyl-N-[3-(methylthio)phenyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-butyl-N-(3-methylsulfanylphenyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-butyl-1,3-diketo-N-[3-(methylthio)phenyl]isoindoline-5-carboxamide Formula: C20H20N2O3S MolecularWeight: 368.4494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C20H20N2O3S/c1-3-4-10-22-19(24)16-9-8-13(11-17(16)20(22)25)18(23)21-14-6-5-7-15(12-14)26-2/h5-9,11-12H,3-4,10H2,1-2H3,(H,21,23)