1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-(5-fluoranyl-2-nitro-phenyl)ethanone

Systemtic Name: 1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-(5-fluoranyl-2-nitro-phenyl)ethanone Openeye Name: 1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-(5-fluoro-2-nitro-phenyl)ethanone CAS Name: 1-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-2-(5-fluoro-2-nitrophenyl)ethanone IUPAC Name: 1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-(5-fluoro-2-nitrophenyl)ethanone Traditional Name: 1-[4-(1,2-benzothiazol-3-yl)piperazino]-2-(5-fluoro-2-nitro-phenyl)ethanone Formula: C19H17FN4O3S MolecularWeight: 400.426683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NSC3=CC=CC=C32)C(=O)CC4=C(C=CC(=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NSC3=CC=CC=C32)C(=O)CC4=C(C=CC(=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C19H17FN4O3S/c20-14-5-6-16(24(26)27)13(11-14)12-18(25)22-7-9-23(10-8-22)19-15-3-1-2-4-17(15)28-21-19/h1-6,11H,7-10,12H2