2-fluoranyl-N-[4-[(3-fluoranyl-4-methoxy-phenyl)carbamothioylamino]phenyl]benzamide

Systemtic Name: 2-fluoranyl-N-[4-[(3-fluoranyl-4-methoxy-phenyl)carbamothioylamino]phenyl]benzamide Openeye Name: 2-fluoro-N-[4-[(3-fluoro-4-methoxy-phenyl)carbamothioylamino]phenyl]benzamide CAS Name: 2-fluoro-N-[4-[[(3-fluoro-4-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 2-fluoro-N-[4-[(3-fluoro-4-methoxyphenyl)carbamothioylamino]phenyl]benzamide Traditional Name: 2-fluoro-N-[4-[(3-fluoro-4-methoxy-phenyl)thiocarbamoylamino]phenyl]benzamide Formula: C21H17F2N3O2S MolecularWeight: 413.440386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)F

InChI

InChI=1S/C21H17F2N3O2S/c1-28-19-11-10-15(12-18(19)23)26-21(29)25-14-8-6-13(7-9-14)24-20(27)16-4-2-3-5-17(16)22/h2-12H,1H3,(H,24,27)(H2,25,26,29)