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

Systemtic Name: (4,5-dimethoxy-2-nitro-phenyl)-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (4,5-dimethoxy-2-nitro-phenyl)-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (4,5-dimethoxy-2-nitrophenyl)-[4-(6-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (4,5-dimethoxy-2-nitro-phenyl)-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H22N4O5S/c1-13-4-5-15-19(10-13)31-21(22-15)24-8-6-23(7-9-24)20(26)14-11-17(29-2)18(30-3)12-16(14)25(27)28/h4-5,10-12H,6-9H2,1-3H3