2-[[4-(4,5-dimethoxy-2-nitro-phenyl)carbonylpiperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one

Systemtic Name: 2-[[4-(4,5-dimethoxy-2-nitro-phenyl)carbonylpiperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Openeye Name: 2-[[4-(4,5-dimethoxy-2-nitro-benzoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one CAS Name: 2-[[4-[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]-1-piperazinyl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one IUPAC Name: 2-[[4-(4,5-dimethoxy-2-nitrobenzoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Traditional Name: 2-[[4-(4,5-dimethoxy-2-nitro-benzoyl)piperazino]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Formula: C21H24N4O6S MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)CC3=NC4=C(S3)C(=O)CCC4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)CC3=NC4=C(S3)C(=O)CCC4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H24N4O6S/c1-30-17-10-13(15(25(28)29)11-18(17)31-2)21(27)24-8-6-23(7-9-24)12-19-22-14-4-3-5-16(26)20(14)32-19/h10-11H,3-9,12H2,1-2H3