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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)N2CCN(CC2)C3=NSC4=CC=CC=C43)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)N2CCN(CC2)C3=NSC4=CC=CC=C43)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N4O5S/c1-29-17-11-14(16(25(27)28)13-18(17)30-2)12-20(26)23-7-9-24(10-8-23)21-15-5-3-4-6-19(15)31-22-21/h3-6,11,13H,7-10,12H2,1-2H3