3-cyano-N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]benzamide

Systemtic Name: 3-cyano-N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]benzamide Openeye Name: 3-cyano-N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]benzamide CAS Name: 3-cyano-N-[4-[[[1-(4-fluorophenyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 3-cyano-N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]benzamide Traditional Name: 3-cyano-N-[4-[1-(4-fluorophenyl)ethylthiocarbamoylamino]phenyl]benzamide Formula: C23H19FN4OS MolecularWeight: 418.486563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C1=CC=C(C=C1)F)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C23H19FN4OS/c1-15(17-5-7-19(24)8-6-17)26-23(30)28-21-11-9-20(10-12-21)27-22(29)18-4-2-3-16(13-18)14-25/h2-13,15H,1H3,(H,27,29)(H2,26,28,30)