2-fluoranyl-N-[4-[[3-(hydroxymethyl)phenyl]sulfanylcarbamoylamino]phenyl]benzamide

Systemtic Name: 2-fluoranyl-N-[4-[[3-(hydroxymethyl)phenyl]sulfanylcarbamoylamino]phenyl]benzamide Openeye Name: 2-fluoro-N-[4-[[3-(hydroxymethyl)phenyl]sulfanylcarbamoylamino]phenyl]benzamide CAS Name: 2-fluoro-N-[4-[[[[[3-(hydroxymethyl)phenyl]thio]amino]-oxomethyl]amino]phenyl]benzamide IUPAC Name: 2-fluoro-N-[4-[[3-(hydroxymethyl)phenyl]sulfanylcarbamoylamino]phenyl]benzamide Traditional Name: 2-fluoro-N-[4-[[(3-methylolphenyl)thio]carbamoylamino]phenyl]benzamide Formula: C21H18FN3O3S MolecularWeight: 411.449323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)NSC3=CC=CC(=C3)CO)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)NSC3=CC=CC(=C3)CO)F

InChI

InChI=1S/C21H18FN3O3S/c22-19-7-2-1-6-18(19)20(27)23-15-8-10-16(11-9-15)24-21(28)25-29-17-5-3-4-14(12-17)13-26/h1-12,26H,13H2,(H,23,27)(H2,24,25,28)