[1-[4-fluoranyl-2-(pyridin-4-ylcarbothioylamino)phenyl]piperidin-4-yl] pyridine-4-carboxylate

Systemtic Name: [1-[4-fluoranyl-2-(pyridin-4-ylcarbothioylamino)phenyl]piperidin-4-yl] pyridine-4-carboxylate Openeye Name: [1-[4-fluoro-2-(pyridine-4-carbothioylamino)phenyl]-4-piperidyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [1-[4-fluoro-2-[[pyridin-4-yl(sulfanylidene)methyl]amino]phenyl]-4-piperidinyl] ester IUPAC Name: [1-[4-fluoro-2-(pyridine-4-carbothioylamino)phenyl]piperidin-4-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [1-[4-fluoro-2-(pyridine-4-carbothioylamino)phenyl]-4-piperidyl] ester Formula: C23H21FN4O2S MolecularWeight: 436.501843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC(=O)C2=CC=NC=C2)C3=C(C=C(C=C3)F)NC(=S)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1OC(=O)C2=CC=NC=C2)C3=C(C=C(C=C3)F)NC(=S)C4=CC=NC=C4

InChI

InChI=1S/C23H21FN4O2S/c24-18-1-2-21(20(15-18)27-22(31)16-3-9-25-10-4-16)28-13-7-19(8-14-28)30-23(29)17-5-11-26-12-6-17/h1-6,9-12,15,19H,7-8,13-14H2,(H,27,31)