2-(4-fluorophenyl)sulfanyl-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-fluorophenyl)sulfanyl-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Openeye Name: 2-(4-fluorophenyl)sulfanyl-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 2-[(4-fluorophenyl)thio]-1-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-fluorophenyl)sulfanyl-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-fluorophenyl)thio]-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]ethanone Formula: C19H17FN4O3S2 MolecularWeight: 432.491683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)CSC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)CSC4=CC=C(C=C4)F

InChI

InChI=1S/C19H17FN4O3S2/c20-13-1-4-15(5-2-13)28-12-18(25)22-7-9-23(10-8-22)19-21-16-6-3-14(24(26)27)11-17(16)29-19/h1-6,11H,7-10,12H2