1-[4-(2-nitrophenyl)piperazin-1-yl]-2-(phenylmethylsulfanyl)propan-1-one

Systemtic Name: 1-[4-(2-nitrophenyl)piperazin-1-yl]-2-(phenylmethylsulfanyl)propan-1-one Openeye Name: 2-benzylsulfanyl-1-[4-(2-nitrophenyl)piperazin-1-yl]propan-1-one CAS Name: 1-[4-(2-nitrophenyl)-1-piperazinyl]-2-(phenylmethylthio)-1-propanone IUPAC Name: 2-benzylsulfanyl-1-[4-(2-nitrophenyl)piperazin-1-yl]propan-1-one Traditional Name: 2-(benzylthio)-1-[4-(2-nitrophenyl)piperazino]propan-1-one Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2[N+](=O)[O-])SCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2[N+](=O)[O-])SCC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3S/c1-16(27-15-17-7-3-2-4-8-17)20(24)22-13-11-21(12-14-22)18-9-5-6-10-19(18)23(25)26/h2-10,16H,11-15H2,1H3