1-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one

Systemtic Name: 1-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one Openeye Name: 1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one CAS Name: 1-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-2-[(4-nitrophenyl)thio]-1-propanone IUPAC Name: 1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanylpropan-1-one Traditional Name: 1-[4-(4-fluorobenzoyl)piperazino]-2-[(4-nitrophenyl)thio]propan-1-one Formula: C20H20FN3O4S MolecularWeight: 417.453903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)F)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)F)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20FN3O4S/c1-14(29-18-8-6-17(7-9-18)24(27)28)19(25)22-10-12-23(13-11-22)20(26)15-2-4-16(21)5-3-15/h2-9,14H,10-13H2,1H3