N-[3-chloranyl-4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[3-chloranyl-4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[3-chloro-4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[3-chloro-4-[[[1-(4-fluorophenyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[3-chloro-4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[3-chloro-4-[1-(4-fluorophenyl)ethylthiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C22H18ClF2N3OS MolecularWeight: 445.912626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)NC(=S)NC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl

Isomeric SMILES

CC(C1=CC=C(C=C1)F)NC(=S)NC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl

InChI

InChI=1S/C22H18ClF2N3OS/c1-13(14-6-8-15(24)9-7-14)26-22(30)28-20-11-10-16(12-18(20)23)27-21(29)17-4-2-3-5-19(17)25/h2-13H,1H3,(H,27,29)(H2,26,28,30)