2-butyl-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-butyl-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-butyl-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-butyl-N-[2-[(2-cyanophenyl)methylthio]ethyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-butyl-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-butyl-N-[2-[(2-cyanobenzyl)thio]ethyl]-1,3-diketo-isoindoline-5-carboxamide Formula: C23H23N3O3S MolecularWeight: 421.51202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C23H23N3O3S/c1-2-3-11-26-22(28)19-9-8-16(13-20(19)23(26)29)21(27)25-10-12-30-15-18-7-5-4-6-17(18)14-24/h4-9,13H,2-3,10-12,15H2,1H3,(H,25,27)