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

Systemtic Name: 2-(1-methylimidazol-2-yl)sulfanyl-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Openeye Name: 2-(1-methylimidazol-2-yl)sulfanyl-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 2-[(1-methyl-2-imidazolyl)thio]-1-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-methylimidazol-2-yl)sulfanyl-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-[(1-methylimidazol-2-yl)thio]-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]ethanone Formula: C17H18N6O3S2 MolecularWeight: 418.49322

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1SCC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O3S2/c1-20-5-4-18-16(20)27-11-15(24)21-6-8-22(9-7-21)17-19-13-3-2-12(23(25)26)10-14(13)28-17/h2-5,10H,6-9,11H2,1H3