2-[4-(4-ethanoylphenyl)piperazin-1-yl]-N-(2-nitro-5-propylsulfanyl-phenyl)ethanamide

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-yl]-N-(2-nitro-5-propylsulfanyl-phenyl)ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-nitro-5-propylsulfanyl-phenyl)acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazinyl]-N-[2-nitro-5-(propylthio)phenyl]acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-nitro-5-propylsulfanylphenyl)acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazino]-N-[2-nitro-5-(propylthio)phenyl]acetamide Formula: C23H28N4O4S MolecularWeight: 456.55782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C23H28N4O4S/c1-3-14-32-20-8-9-22(27(30)31)21(15-20)24-23(29)16-25-10-12-26(13-11-25)19-6-4-18(5-7-19)17(2)28/h4-9,15H,3,10-14,16H2,1-2H3,(H,24,29)