2,2-dimethyl-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 2,2-dimethyl-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one Openeye Name: 2,2-dimethyl-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one CAS Name: 2,2-dimethyl-1-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-propanone IUPAC Name: 2,2-dimethyl-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one Traditional Name: 2,2-dimethyl-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]propan-1-one Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)N1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O3S/c1-16(2,3)14(21)18-6-8-19(9-7-18)15-17-12-5-4-11(20(22)23)10-13(12)24-15/h4-5,10H,6-9H2,1-3H3