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

Systemtic Name: 4-(3-bromophenyl)-2-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-1,3-thiazole Openeye Name: 4-(3-bromophenyl)-2-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-piperidyl]thiazole CAS Name: 4-(3-bromophenyl)-2-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-piperidinyl]thiazole IUPAC Name: 4-(3-bromophenyl)-2-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-1,3-thiazole Traditional Name: 4-(3-bromophenyl)-2-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-piperidyl]thiazole Formula: C22H20BrN3O4S MolecularWeight: 502.3809

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrN3O4S/c23-17-3-1-2-15(8-17)18-12-31-22(24-18)14-4-6-25(7-5-14)11-16-9-20-21(30-13-29-20)10-19(16)26(27)28/h1-3,8-10,12,14H,4-7,11,13H2