7-(4-chlorophenyl)-6-ethoxy-4-piperidin-1-yl-2-propylsulfanyl-5-(pyridin-2-ylmethoxy)-1,3-benzothiazole

Systemtic Name: 7-(4-chlorophenyl)-6-ethoxy-4-piperidin-1-yl-2-propylsulfanyl-5-(pyridin-2-ylmethoxy)-1,3-benzothiazole Openeye Name: 7-(4-chlorophenyl)-6-ethoxy-4-(1-piperidyl)-2-propylsulfanyl-5-(2-pyridylmethoxy)-1,3-benzothiazole CAS Name: 7-(4-chlorophenyl)-6-ethoxy-4-(1-piperidinyl)-2-(propylthio)-5-(2-pyridinylmethoxy)-1,3-benzothiazole IUPAC Name: 7-(4-chlorophenyl)-6-ethoxy-4-piperidin-1-yl-2-propylsulfanyl-5-(pyridin-2-ylmethoxy)-1,3-benzothiazole Traditional Name: 7-(4-chlorophenyl)-6-ethoxy-4-piperidino-2-(propylthio)-5-(2-pyridylmethoxy)-1,3-benzothiazole Formula: C29H32ClN3O2S2 MolecularWeight: 554.16628

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(S1)C(=C(C(=C2N3CCCCC3)OCC4=CC=CC=N4)OCC)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCCSC1=NC2=C(S1)C(=C(C(=C2N3CCCCC3)OCC4=CC=CC=N4)OCC)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H32ClN3O2S2/c1-3-18-36-29-32-24-25(33-16-8-5-9-17-33)27(35-19-22-10-6-7-15-31-22)26(34-4-2)23(28(24)37-29)20-11-13-21(30)14-12-20/h6-7,10-15H,3-5,8-9,16-19H2,1-2H3