2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(4-pyridylmethyl)piperazin-1-yl]ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-(pyridin-4-ylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-(4-pyridylmethyl)piperazino]ethanone Formula: C19H20N4O2S MolecularWeight: 368.4527

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)C(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)C(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C19H20N4O2S/c24-18(14-26-19-21-16-3-1-2-4-17(16)25-19)23-11-9-22(10-12-23)13-15-5-7-20-8-6-15/h1-8H,9-14H2