[4-(6-fluoranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methyl-3-nitro-phenyl)methanone

Systemtic Name: [4-(6-fluoranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methyl-3-nitro-phenyl)methanone Openeye Name: [4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methyl-3-nitro-phenyl)methanone CAS Name: [4-(6-fluoro-1,3-benzothiazol-2-yl)-1-piperazinyl]-(2-methyl-3-nitrophenyl)methanone IUPAC Name: [4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methyl-3-nitrophenyl)methanone Traditional Name: [4-(6-fluoro-1,3-benzothiazol-2-yl)piperazino]-(2-methyl-3-nitro-phenyl)methanone Formula: C19H17FN4O3S MolecularWeight: 400.426683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)F

InChI

InChI=1S/C19H17FN4O3S/c1-12-14(3-2-4-16(12)24(26)27)18(25)22-7-9-23(10-8-22)19-21-15-6-5-13(20)11-17(15)28-19/h2-6,11H,7-10H2,1H3