[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyridin-3-yl)methanone

Systemtic Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyridin-3-yl)methanone Openeye Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(2-pyrrolidin-1-yl-3-pyridyl)methanone CAS Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-[2-(1-pyrrolidinyl)-3-pyridinyl]methanone IUPAC Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyridin-3-yl)methanone Traditional Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-(2-pyrrolidino-3-pyridyl)methanone Formula: C22H24N4OS MolecularWeight: 392.51716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=N2)C(=O)N3CCCC(C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=N2)C(=O)N3CCC[C@@H](C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H24N4OS/c27-22(17-8-5-11-23-20(17)25-12-3-4-13-25)26-14-6-7-16(15-26)21-24-18-9-1-2-10-19(18)28-21/h1-2,5,8-11,16H,3-4,6-7,12-15H2/t16-/m0/s1