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

Systemtic Name: (4,5-dimethoxy-2-nitro-phenyl)-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (4,5-dimethoxy-2-nitro-phenyl)-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (4,5-dimethoxy-2-nitrophenyl)-[4-[4-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]methanone IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (4,5-dimethoxy-2-nitro-phenyl)-[4-[4-(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=CC=C4SC)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4SC)[N+](=O)[O-])OC

InChI

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