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

Systemtic Name: (4,5-dimethoxy-2-nitro-phenyl)-[4-(4-fluoranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (4,5-dimethoxy-2-nitro-phenyl)-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (4,5-dimethoxy-2-nitrophenyl)-[4-(4-fluoro-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (4,5-dimethoxy-2-nitro-phenyl)-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C20H19FN4O5S MolecularWeight: 446.452063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4S3)F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4S3)F)[N+](=O)[O-])OC

InChI

InChI=1S/C20H19FN4O5S/c1-29-15-10-12(14(25(27)28)11-16(15)30-2)19(26)23-6-8-24(9-7-23)20-22-18-13(21)4-3-5-17(18)31-20/h3-5,10-11H,6-9H2,1-2H3