4-[4-[1,3-benzothiazol-2-yl(sulfanyl)methyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate

Systemtic Name: 4-[4-[1,3-benzothiazol-2-yl(sulfanyl)methyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate Openeye Name: 4-[4-[1,3-benzothiazol-2-yl(sulfanyl)methyl]phenyl]-3-(2-naphthylmethoxy)piperidine-1-carboxylate CAS Name: 4-[4-[1,3-benzothiazol-2-yl(mercapto)methyl]phenyl]-3-(2-naphthalenylmethoxy)-1-piperidinecarboxylate IUPAC Name: 4-[4-[1,3-benzothiazol-2-yl(sulfanyl)methyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate Traditional Name: 4-[4-[1,3-benzothiazol-2-yl(mercapto)methyl]phenyl]-3-(2-naphthylmethoxy)piperidine-1-carboxylate Formula: C31H27N2O3S2- MolecularWeight: 539.68768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CC=C(C=C2)C(C3=NC4=CC=CC=C4S3)S)OCC5=CC6=CC=CC=C6C=C5)C(=O)[O-]

Isomeric SMILES

C1CN(CC(C1C2=CC=C(C=C2)C(C3=NC4=CC=CC=C4S3)S)OCC5=CC6=CC=CC=C6C=C5)C(=O)[O-]

InChI

InChI=1S/C31H28N2O3S2/c34-31(35)33-16-15-25(27(18-33)36-19-20-9-10-21-5-1-2-6-24(21)17-20)22-11-13-23(14-12-22)29(37)30-32-26-7-3-4-8-28(26)38-30/h1-14,17,25,27,29,37H,15-16,18-19H2,(H,34,35)/p-1