3-(1,3-benzothiazol-2-yl)-1-[4-(2-phenylpyrimidin-4-yl)piperidin-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(2-phenylpyrimidin-4-yl)piperidin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(2-phenylpyrimidin-4-yl)-1-piperidyl]propan-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(2-phenyl-4-pyrimidinyl)-1-piperidinyl]-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(2-phenylpyrimidin-4-yl)piperidin-1-yl]propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(2-phenylpyrimidin-4-yl)piperidino]propan-1-one Formula: C25H24N4OS MolecularWeight: 428.54926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=NC=C2)C3=CC=CC=C3)C(=O)CCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCC1C2=NC(=NC=C2)C3=CC=CC=C3)C(=O)CCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H24N4OS/c30-24(11-10-23-27-21-8-4-5-9-22(21)31-23)29-16-13-18(14-17-29)20-12-15-26-25(28-20)19-6-2-1-3-7-19/h1-9,12,15,18H,10-11,13-14,16-17H2