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

Systemtic Name: (4,5-dimethoxy-2-nitro-phenyl)-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (4,5-dimethoxy-2-nitro-phenyl)-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (4,5-dimethoxy-2-nitrophenyl)-[4-[6-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]methanone IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (4,5-dimethoxy-2-nitro-phenyl)-[4-[6-(methylthio)-1,3-benzothiazol-2-yl]piperazino]methanone Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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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)SC)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O5S2/c1-29-17-11-14(16(25(27)28)12-18(17)30-2)20(26)23-6-8-24(9-7-23)21-22-15-5-4-13(31-3)10-19(15)32-21/h4-5,10-12H,6-9H2,1-3H3