1-[4-(2-tert-butyl-6-nitro-1,3-benzothiazol-5-yl)piperazin-1-yl]ethanone

Systemtic Name: 1-[4-(2-tert-butyl-6-nitro-1,3-benzothiazol-5-yl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(2-tert-butyl-6-nitro-1,3-benzothiazol-5-yl)piperazin-1-yl]ethanone CAS Name: 1-[4-(2-tert-butyl-6-nitro-1,3-benzothiazol-5-yl)-1-piperazinyl]ethanone IUPAC Name: 1-[4-(2-tert-butyl-6-nitro-1,3-benzothiazol-5-yl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(2-tert-butyl-6-nitro-1,3-benzothiazol-5-yl)piperazino]ethanone Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N=C(S3)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N=C(S3)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O3S/c1-11(22)19-5-7-20(8-6-19)13-9-12-15(10-14(13)21(23)24)25-16(18-12)17(2,3)4/h9-10H,5-8H2,1-4H3