3-[[2-[1-[(5-nitrofuran-2-yl)methyl]piperidin-4-yl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one

Systemtic Name: 3-[[2-[1-[(5-nitrofuran-2-yl)methyl]piperidin-4-yl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[[2-[1-[(5-nitro-2-furyl)methyl]-4-piperidyl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[2-[1-[(5-nitro-2-furanyl)methyl]-4-piperidinyl]-1-imidazolyl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[[2-[1-[(5-nitrofuran-2-yl)methyl]piperidin-4-yl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[2-[1-[(5-nitro-2-furyl)methyl]-4-piperidyl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC=CN2CN3C4=CC=CC=C4SC3=O)CC5=CC=C(O5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=NC=CN2CN3C4=CC=CC=C4SC3=O)CC5=CC=C(O5)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4S/c27-21-25(17-3-1-2-4-18(17)31-21)14-24-12-9-22-20(24)15-7-10-23(11-8-15)13-16-5-6-19(30-16)26(28)29/h1-6,9,12,15H,7-8,10-11,13-14H2