4-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[3-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[3-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[3-[4-(1,3-benzothiazol-2-yl)piperidino]-2-hydroxy-propoxy]benzonitrile Formula: C22H23N3O2S MolecularWeight: 393.50192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)CC(COC4=CC=C(C=C4)C#N)O

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)CC(COC4=CC=C(C=C4)C#N)O

InChI

InChI=1S/C22H23N3O2S/c23-13-16-5-7-19(8-6-16)27-15-18(26)14-25-11-9-17(10-12-25)22-24-20-3-1-2-4-21(20)28-22/h1-8,17-18,26H,9-12,14-15H2