1-[4-(4-nitrophenyl)piperazin-1-yl]-4-phenylsulfanyl-butan-1-one

Systemtic Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-4-phenylsulfanyl-butan-1-one Openeye Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-4-phenylsulfanyl-butan-1-one CAS Name: 1-[4-(4-nitrophenyl)-1-piperazinyl]-4-(phenylthio)-1-butanone IUPAC Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-4-phenylsulfanylbutan-1-one Traditional Name: 1-[4-(4-nitrophenyl)piperazino]-4-(phenylthio)butan-1-one Formula: C20H23N3O3S MolecularWeight: 385.47992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3S/c24-20(7-4-16-27-19-5-2-1-3-6-19)22-14-12-21(13-15-22)17-8-10-18(11-9-17)23(25)26/h1-3,5-6,8-11H,4,7,12-16H2