N-[4-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide

Systemtic Name: N-[4-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide Openeye Name: N-[4-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]thiazol-2-yl]benzamide CAS Name: N-[4-[3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-2-thiazolyl]benzamide IUPAC Name: N-[4-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide Traditional Name: N-[4-[3-keto-3-[4-(2-pyrimidyl)piperazino]propyl]thiazol-2-yl]benzamide Formula: C21H22N6O2S MolecularWeight: 422.50338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCC3=CSC(=N3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCC3=CSC(=N3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22N6O2S/c28-18(26-11-13-27(14-12-26)20-22-9-4-10-23-20)8-7-17-15-30-21(24-17)25-19(29)16-5-2-1-3-6-16/h1-6,9-10,15H,7-8,11-14H2,(H,24,25,29)