4-[4-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate

Systemtic Name: 4-[4-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate Openeye Name: 4-[4-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]phenyl]-3-(2-naphthylmethoxy)piperidine-1-carboxylate CAS Name: 4-[4-[3-(1,3-benzothiazol-2-ylthio)propyl]phenyl]-3-(2-naphthalenylmethoxy)-1-piperidinecarboxylate IUPAC Name: 4-[4-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate Traditional Name: 4-[4-[3-(1,3-benzothiazol-2-ylthio)propyl]phenyl]-3-(2-naphthylmethoxy)piperidine-1-carboxylate Formula: C33H31N2O3S2- MolecularWeight: 567.74084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CC=C(C=C2)CCCSC3=NC4=CC=CC=C4S3)OCC5=CC6=CC=CC=C6C=C5)C(=O)[O-]

Isomeric SMILES

C1CN(CC(C1C2=CC=C(C=C2)CCCSC3=NC4=CC=CC=C4S3)OCC5=CC6=CC=CC=C6C=C5)C(=O)[O-]

InChI

InChI=1S/C33H32N2O3S2/c36-33(37)35-18-17-28(30(21-35)38-22-24-13-14-25-7-1-2-8-27(25)20-24)26-15-11-23(12-16-26)6-5-19-39-32-34-29-9-3-4-10-31(29)40-32/h1-4,7-16,20,28,30H,5-6,17-19,21-22H2,(H,36,37)/p-1