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

Systemtic Name: 1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone Openeye Name: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone CAS Name: 1-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]ethanone IUPAC Name: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone Traditional Name: 1-[4-(2-furoyl)piperazino]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]ethanone Formula: C18H16N4O5S2 MolecularWeight: 432.47344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CO4

InChI

InChI=1S/C18H16N4O5S2/c23-16(20-5-7-21(8-6-20)17(24)14-2-1-9-27-14)11-28-18-19-13-4-3-12(22(25)26)10-15(13)29-18/h1-4,9-10H,5-8,11H2