2-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-N-(2-nitro-5-propylsulfanyl-phenyl)ethanamide

Systemtic Name: 2-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-N-(2-nitro-5-propylsulfanyl-phenyl)ethanamide Openeye Name: 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(2-nitro-5-propylsulfanyl-phenyl)acetamide CAS Name: 2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-N-[2-nitro-5-(propylthio)phenyl]acetamide IUPAC Name: 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(2-nitro-5-propylsulfanylphenyl)acetamide Traditional Name: 2-[4-(4-fluorobenzoyl)piperazino]-N-[2-nitro-5-(propylthio)phenyl]acetamide Formula: C22H25FN4O4S MolecularWeight: 460.521703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN4O4S/c1-2-13-32-18-7-8-20(27(30)31)19(14-18)24-21(28)15-25-9-11-26(12-10-25)22(29)16-3-5-17(23)6-4-16/h3-8,14H,2,9-13,15H2,1H3,(H,24,28)