4-phenethylsulfanyl-2-propyl-isoindole-1,3-dione

Systemtic Name: 4-phenethylsulfanyl-2-propyl-isoindole-1,3-dione Openeye Name: 4-phenethylsulfanyl-2-propyl-isoindoline-1,3-dione CAS Name: 4-(phenethylthio)-2-propylisoindole-1,3-dione IUPAC Name: 4-phenethylsulfanyl-2-propylisoindole-1,3-dione Traditional Name: 4-(phenethylthio)-2-propyl-isoindoline-1,3-quinone Formula: C19H19NO2S MolecularWeight: 325.42466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C1=O)C(=CC=C2)SCCC3=CC=CC=C3

Isomeric SMILES

CCCN1C(=O)C2=C(C1=O)C(=CC=C2)SCCC3=CC=CC=C3

InChI

InChI=1S/C19H19NO2S/c1-2-12-20-18(21)15-9-6-10-16(17(15)19(20)22)23-13-11-14-7-4-3-5-8-14/h3-10H,2,11-13H2,1H3