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

Systemtic Name: 2-[4-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanyl-propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[3-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-hydroxy-propoxy]phenyl]acetonitrile CAS Name: 2-[4-[3-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-hydroxypropoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetonitrile Traditional Name: 2-[4-[3-[4-(1,3-benzothiazol-2-yl)piperidino]-2-hydroxy-propoxy]phenyl]acetonitrile Formula: C23H25N3O2S MolecularWeight: 407.5285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O2S/c24-12-9-17-5-7-20(8-6-17)28-16-19(27)15-26-13-10-18(11-14-26)23-25-21-3-1-2-4-22(21)29-23/h1-8,18-19,27H,9-11,13-16H2