[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4,5-dimethoxy-2-nitro-phenyl)methanone

Systemtic Name: [4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4,5-dimethoxy-2-nitro-phenyl)methanone Openeye Name: [4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4,5-dimethoxy-2-nitro-phenyl)methanone CAS Name: [4-(6-bromo-1,3-benzothiazol-2-yl)-1-piperazinyl]-(4,5-dimethoxy-2-nitrophenyl)methanone IUPAC Name: [4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4,5-dimethoxy-2-nitrophenyl)methanone Traditional Name: [4-(6-bromo-1,3-benzothiazol-2-yl)piperazino]-(4,5-dimethoxy-2-nitro-phenyl)methanone Formula: C20H19BrN4O5S MolecularWeight: 507.35766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Br)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Br)[N+](=O)[O-])OC

InChI

InChI=1S/C20H19BrN4O5S/c1-29-16-10-13(15(25(27)28)11-17(16)30-2)19(26)23-5-7-24(8-6-23)20-22-14-4-3-12(21)9-18(14)31-20/h3-4,9-11H,5-8H2,1-2H3