1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)ethanone

Systemtic Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)ethanone Openeye Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)ethanone CAS Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(2,4,6-trimethylphenyl)ethanone IUPAC Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)ethanone Traditional Name: 2-mesityl-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]ethanone Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H24N4O3S/c1-14-10-15(2)18(16(3)11-14)13-21(27)24-6-8-25(9-7-24)22-23-19-5-4-17(26(28)29)12-20(19)30-22/h4-5,10-12H,6-9,13H2,1-3H3