2-[5-azanyl-6-(1H-indol-3-ylsulfanyl)hexyl]isoindole-1,3-dione

Systemtic Name: 2-[5-azanyl-6-(1H-indol-3-ylsulfanyl)hexyl]isoindole-1,3-dione Openeye Name: 2-[5-amino-6-(1H-indol-3-ylsulfanyl)hexyl]isoindoline-1,3-dione CAS Name: 2-[5-amino-6-(1H-indol-3-ylthio)hexyl]isoindole-1,3-dione IUPAC Name: 2-[5-amino-6-(1H-indol-3-ylsulfanyl)hexyl]isoindole-1,3-dione Traditional Name: 2-[5-amino-6-(1H-indol-3-ylthio)hexyl]isoindoline-1,3-quinone Formula: C22H23N3O2S MolecularWeight: 393.50192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCC(CSC3=CNC4=CC=CC=C43)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCC(CSC3=CNC4=CC=CC=C43)N

InChI

InChI=1S/C22H23N3O2S/c23-15(14-28-20-13-24-19-11-4-3-10-18(19)20)7-5-6-12-25-21(26)16-8-1-2-9-17(16)22(25)27/h1-4,8-11,13,15,24H,5-7,12,14,23H2