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

Systemtic Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one CAS Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one Traditional Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]propan-1-one Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O3S/c1-2-13(19)16-5-7-17(8-6-16)14-15-11-4-3-10(18(20)21)9-12(11)22-14/h3-4,9H,2,5-8H2,1H3