2-[3-[4-[(4-chlorophenyl)-pyridin-2-yl-methoxy]piperidin-1-yl]propylsulfanyl]-6-ethoxy-1,3-benzothiazole

Systemtic Name: 2-[3-[4-[(4-chlorophenyl)-pyridin-2-yl-methoxy]piperidin-1-yl]propylsulfanyl]-6-ethoxy-1,3-benzothiazole Openeye Name: 2-[3-[4-[(4-chlorophenyl)-(2-pyridyl)methoxy]-1-piperidyl]propylsulfanyl]-6-ethoxy-1,3-benzothiazole CAS Name: 2-[3-[4-[(4-chlorophenyl)-(2-pyridinyl)methoxy]-1-piperidinyl]propylthio]-6-ethoxy-1,3-benzothiazole IUPAC Name: 2-[3-[4-[(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]propylsulfanyl]-6-ethoxy-1,3-benzothiazole Traditional Name: 2-[3-[4-[(4-chlorophenyl)-(2-pyridyl)methoxy]piperidino]propylthio]-6-ethoxy-1,3-benzothiazole Formula: C29H32ClN3O2S2 MolecularWeight: 554.16628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCCCN3CCC(CC3)OC(C4=CC=C(C=C4)Cl)C5=CC=CC=N5

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCCCN3CCC(CC3)OC(C4=CC=C(C=C4)Cl)C5=CC=CC=N5

InChI

InChI=1S/C29H32ClN3O2S2/c1-2-34-24-11-12-25-27(20-24)37-29(32-25)36-19-5-16-33-17-13-23(14-18-33)35-28(26-6-3-4-15-31-26)21-7-9-22(30)10-8-21/h3-4,6-12,15,20,23,28H,2,5,13-14,16-19H2,1H3