2-(4-fluorophenyl)sulfanyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]ethanamide

Systemtic Name: 2-(4-fluorophenyl)sulfanyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]ethanamide Openeye Name: 2-(4-fluorophenyl)sulfanyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]acetamide CAS Name: 2-[(4-fluorophenyl)thio]-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]acetamide IUPAC Name: 2-(4-fluorophenyl)sulfanyl-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]acetamide Traditional Name: 2-[(4-fluorophenyl)thio]-N-[6-(3-ketopiperazino)-3-pyridyl]acetamide Formula: C17H17FN4O2S MolecularWeight: 360.405883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)CSC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)CSC3=CC=C(C=C3)F

InChI

InChI=1S/C17H17FN4O2S/c18-12-1-4-14(5-2-12)25-11-17(24)21-13-3-6-15(20-9-13)22-8-7-19-16(23)10-22/h1-6,9H,7-8,10-11H2,(H,19,23)(H,21,24)