N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]quinoline-2-carboxamide

Systemtic Name: N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]quinoline-2-carboxamide Openeye Name: N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]quinoline-2-carboxamide CAS Name: N-[4-[[[1-(4-fluorophenyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]-2-quinolinecarboxamide IUPAC Name: N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]quinoline-2-carboxamide Traditional Name: N-[4-[1-(4-fluorophenyl)ethylthiocarbamoylamino]phenyl]quinaldamide Formula: C25H21FN4OS MolecularWeight: 444.523843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C1=CC=C(C=C1)F)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H21FN4OS/c1-16(17-6-9-19(26)10-7-17)27-25(32)29-21-13-11-20(12-14-21)28-24(31)23-15-8-18-4-2-3-5-22(18)30-23/h2-16H,1H3,(H,28,31)(H2,27,29,32)