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

Systemtic Name: 3-[[2-[1-[(5-nitrothiophen-3-yl)methyl]piperidin-4-yl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[[2-[1-[(5-nitro-3-thienyl)methyl]-4-piperidyl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[2-[1-[(5-nitro-3-thiophenyl)methyl]-4-piperidinyl]-1-imidazolyl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[[2-[1-[(5-nitrothiophen-3-yl)methyl]piperidin-4-yl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[2-[1-[(5-nitro-3-thienyl)methyl]-4-piperidyl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one Formula: C21H21N5O3S2 MolecularWeight: 455.55314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC=CN2CN3C4=CC=CC=C4SC3=O)CC5=CSC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=NC=CN2CN3C4=CC=CC=C4SC3=O)CC5=CSC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O3S2/c27-21-25(17-3-1-2-4-18(17)31-21)14-24-10-7-22-20(24)16-5-8-23(9-6-16)12-15-11-19(26(28)29)30-13-15/h1-4,7,10-11,13,16H,5-6,8-9,12,14H2