[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4,5-dimethoxy-2-nitro-phenyl)methanone

Systemtic Name: [4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4,5-dimethoxy-2-nitro-phenyl)methanone Openeye Name: [4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4,5-dimethoxy-2-nitro-phenyl)methanone CAS Name: [4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-(4,5-dimethoxy-2-nitrophenyl)methanone IUPAC Name: [4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4,5-dimethoxy-2-nitrophenyl)methanone Traditional Name: [4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazino]-(4,5-dimethoxy-2-nitro-phenyl)methanone Formula: C22H24N4O7S MolecularWeight: 488.51356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=N2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=N2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4[N+](=O)[O-])OC)OC

InChI

InChI=1S/C22H24N4O7S/c1-30-15-5-6-16(31-2)20-19(15)23-22(34-20)25-9-7-24(8-10-25)21(27)13-11-17(32-3)18(33-4)12-14(13)26(28)29/h5-6,11-12H,7-10H2,1-4H3