2-[[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methylsulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[[4-[3-(2-naphthylmethoxy)-4-piperidyl]phenyl]methylsulfanyl]-1,3-benzothiazole CAS Name: 2-[[4-[3-(2-naphthalenylmethoxy)-4-piperidinyl]phenyl]methylthio]-1,3-benzothiazole IUPAC Name: 2-[[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[[4-[3-(2-naphthylmethoxy)-4-piperidyl]benzyl]thio]-1,3-benzothiazole Formula: C30H28N2OS2 MolecularWeight: 496.68612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C1C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3)OCC5=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1CNCC(C1C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3)OCC5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C30H28N2OS2/c1-2-6-25-17-22(11-12-23(25)5-1)19-33-28-18-31-16-15-26(28)24-13-9-21(10-14-24)20-34-30-32-27-7-3-4-8-29(27)35-30/h1-14,17,26,28,31H,15-16,18-20H2