2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[[[1-(phenylcarbonyl)piperidin-4-yl]methylamino]methylidene]pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[[[1-(phenylcarbonyl)piperidin-4-yl]methylamino]methylidene]pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[[(1-benzoyl-4-piperidyl)methylamino]methylene]-5-phenyl-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[[(1-benzoyl-4-piperidinyl)methylamino]methylidene]-5-phenyl-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[[(1-benzoylpiperidin-4-yl)methylamino]methylidene]-5-phenylpyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[[(1-benzoyl-4-piperidyl)methylamino]methylene]-5-phenyl-2-pyrazolin-3-one Formula: C30H27N5O2S MolecularWeight: 521.63268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)C(=O)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCC1CNC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)C(=O)C6=CC=CC=C6

InChI

InChI=1S/C30H27N5O2S/c36-28(23-11-5-2-6-12-23)34-17-15-21(16-18-34)19-31-20-24-27(22-9-3-1-4-10-22)33-35(29(24)37)30-32-25-13-7-8-14-26(25)38-30/h1-14,20-21,31H,15-19H2