4-octylsulfanyl-3-propylsulfanyl-1H-1-benzazepine-2,5-dione

Systemtic Name: 4-octylsulfanyl-3-propylsulfanyl-1H-1-benzazepine-2,5-dione Openeye Name: 4-octylsulfanyl-3-propylsulfanyl-1H-1-benzazepine-2,5-dione CAS Name: 4-(octylthio)-3-(propylthio)-1H-1-benzazepine-2,5-dione IUPAC Name: 4-octylsulfanyl-3-propylsulfanyl-1H-1-benzazepine-2,5-dione Traditional Name: 4-(octylthio)-3-(propylthio)-1H-1-benzazepine-2,5-quinone Formula: C21H29NO2S2 MolecularWeight: 391.59046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=C(C(=O)NC2=CC=CC=C2C1=O)SCCC

Isomeric SMILES

CCCCCCCCSC1=C(C(=O)NC2=CC=CC=C2C1=O)SCCC

InChI

InChI=1S/C21H29NO2S2/c1-3-5-6-7-8-11-15-26-19-18(23)16-12-9-10-13-17(16)22-21(24)20(19)25-14-4-2/h9-10,12-13H,3-8,11,14-15H2,1-2H3,(H,22,24)