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

Systemtic Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Openeye Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one CAS Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]butan-1-one Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O3S/c1-2-3-14(20)17-6-8-18(9-7-17)15-16-12-5-4-11(19(21)22)10-13(12)23-15/h4-5,10H,2-3,6-9H2,1H3