3-[[2-[1-[(4-methoxy-3-nitro-phenyl)methyl]piperidin-4-yl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one

Systemtic Name: 3-[[2-[1-[(4-methoxy-3-nitro-phenyl)methyl]piperidin-4-yl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[[2-[1-[(4-methoxy-3-nitro-phenyl)methyl]-4-piperidyl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[2-[1-[(4-methoxy-3-nitrophenyl)methyl]-4-piperidinyl]-1-imidazolyl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[[2-[1-[(4-methoxy-3-nitrophenyl)methyl]piperidin-4-yl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[2-[1-(4-methoxy-3-nitro-benzyl)-4-piperidyl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one Formula: C24H25N5O4S MolecularWeight: 479.5514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5SC4=O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5SC4=O)[N+](=O)[O-]

InChI

InChI=1S/C24H25N5O4S/c1-33-21-7-6-17(14-20(21)29(31)32)15-26-11-8-18(9-12-26)23-25-10-13-27(23)16-28-19-4-2-3-5-22(19)34-24(28)30/h2-7,10,13-14,18H,8-9,11-12,15-16H2,1H3