5-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-dihydrobenzimidazole-2-thione

Systemtic Name: 5-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-dihydrobenzimidazole-2-thione Openeye Name: 5-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-dihydrobenzimidazole-2-thione CAS Name: 5-[2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-1,3-dihydrobenzimidazole-2-thione IUPAC Name: 5-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-dihydrobenzimidazole-2-thione Traditional Name: 5-[2-[4-(2-pyrimidyl)piperazino]ethyl]-1,3-dihydrobenzimidazole-2-thione Formula: C17H20N6S MolecularWeight: 340.4459

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC3=C(C=C2)NC(=S)N3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCC2=CC3=C(C=C2)NC(=S)N3)C4=NC=CC=N4

InChI

InChI=1S/C17H20N6S/c24-17-20-14-3-2-13(12-15(14)21-17)4-7-22-8-10-23(11-9-22)16-18-5-1-6-19-16/h1-3,5-6,12H,4,7-11H2,(H2,20,21,24)