2-[[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methylsulfanyl]-6-nitro-1,3-benzothiazole

Systemtic Name: 2-[[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methylsulfanyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[[4-[3-(2-naphthylmethoxy)-4-piperidyl]phenyl]methylsulfanyl]-6-nitro-1,3-benzothiazole CAS Name: 2-[[4-[3-(2-naphthalenylmethoxy)-4-piperidinyl]phenyl]methylthio]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methylsulfanyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[[4-[3-(2-naphthylmethoxy)-4-piperidyl]benzyl]thio]-6-nitro-1,3-benzothiazole Formula: C30H27N3O3S2 MolecularWeight: 541.68368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C1C2=CC=C(C=C2)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])OCC5=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1CNCC(C1C2=CC=C(C=C2)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])OCC5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C30H27N3O3S2/c34-33(35)25-11-12-27-29(16-25)38-30(32-27)37-19-20-5-9-23(10-6-20)26-13-14-31-17-28(26)36-18-21-7-8-22-3-1-2-4-24(22)15-21/h1-12,15-16,26,28,31H,13-14,17-19H2