1-[4-(4-nitrophenyl)piperazin-1-yl]-2-quinolin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-quinolin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-(2-quinolylsulfanyl)ethanone CAS Name: 1-[4-(4-nitrophenyl)-1-piperazinyl]-2-(2-quinolinylthio)ethanone IUPAC Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-quinolin-2-ylsulfanylethanone Traditional Name: 1-[4-(4-nitrophenyl)piperazino]-2-(2-quinolylthio)ethanone Formula: C21H20N4O3S MolecularWeight: 408.4735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H20N4O3S/c26-21(15-29-20-10-5-16-3-1-2-4-19(16)22-20)24-13-11-23(12-14-24)17-6-8-18(9-7-17)25(27)28/h1-10H,11-15H2