N-[4-[2-(3-chlorophenyl)ethylcarbamothioylamino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[2-(3-chlorophenyl)ethylcarbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[2-(3-chlorophenyl)ethylcarbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[2-(3-chlorophenyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[2-(3-chlorophenyl)ethylcarbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[2-(3-chlorophenyl)ethylthiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C22H19ClFN3OS MolecularWeight: 427.922163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NCCC3=CC(=CC=C3)Cl)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NCCC3=CC(=CC=C3)Cl)F

InChI

InChI=1S/C22H19ClFN3OS/c23-16-5-3-4-15(14-16)12-13-25-22(29)27-18-10-8-17(9-11-18)26-21(28)19-6-1-2-7-20(19)24/h1-11,14H,12-13H2,(H,26,28)(H2,25,27,29)