2-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-4-(2-nitrophenyl)-1,3-thiazole

Systemtic Name: 2-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-4-(2-nitrophenyl)-1,3-thiazole Openeye Name: 2-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-piperidyl]-4-(2-nitrophenyl)thiazole CAS Name: 2-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-piperidinyl]-4-(2-nitrophenyl)thiazole IUPAC Name: 2-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-4-(2-nitrophenyl)-1,3-thiazole Traditional Name: 2-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-piperidyl]-4-(2-nitrophenyl)thiazole Formula: C22H20N4O6S MolecularWeight: 468.4824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=CS2)C3=CC=CC=C3[N+](=O)[O-])CC4=CC5=C(C=C4[N+](=O)[O-])OCO5

Isomeric SMILES

C1CN(CCC1C2=NC(=CS2)C3=CC=CC=C3[N+](=O)[O-])CC4=CC5=C(C=C4[N+](=O)[O-])OCO5

InChI

InChI=1S/C22H20N4O6S/c27-25(28)18-4-2-1-3-16(18)17-12-33-22(23-17)14-5-7-24(8-6-14)11-15-9-20-21(32-13-31-20)10-19(15)26(29)30/h1-4,9-10,12,14H,5-8,11,13H2