N-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-N-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-amine; ethanedioate

Systemtic Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-N-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-amine; ethanedioate Openeye Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-piperidyl]methyl]-N-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-amine; oxalate CAS Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-piperidinyl]methyl]-N-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-amine; oxalate IUPAC Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-N-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-amine; oxalate Traditional Name: 1,3-benzothiazol-2-yl-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-piperidyl]methyl]-(4-fluorobenzyl)amine; oxalate Formula: C31H30FN3O6S-2 MolecularWeight: 591.649803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN(CC2=CC=C(C=C2)F)C3=NC4=CC=CC=C4S3)CC5COC6=CC=CC=C6O5.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C1CN(CCC1CN(CC2=CC=C(C=C2)F)C3=NC4=CC=CC=C4S3)CC5COC6=CC=CC=C6O5.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C29H30FN3O2S.C2H2O4/c30-23-11-9-21(10-12-23)17-33(29-31-25-5-1-4-8-28(25)36-29)18-22-13-15-32(16-14-22)19-24-20-34-26-6-2-3-7-27(26)35-24;3-1(4)2(5)6/h1-12,22,24H,13-20H2;(H,3,4)(H,5,6)/p-2