4-fluoranyl-N-[[2-[[(4-fluorophenyl)carbonylamino]methylsulfanyl]pyrimidin-4-yl]sulfanylmethyl]benzamide

Systemtic Name: 4-fluoranyl-N-[[2-[[(4-fluorophenyl)carbonylamino]methylsulfanyl]pyrimidin-4-yl]sulfanylmethyl]benzamide Openeye Name: 4-fluoro-N-[[2-[[(4-fluorobenzoyl)amino]methylsulfanyl]pyrimidin-4-yl]sulfanylmethyl]benzamide CAS Name: 4-fluoro-N-[[[2-[[[(4-fluorophenyl)-oxomethyl]amino]methylthio]-4-pyrimidinyl]thio]methyl]benzamide IUPAC Name: 4-fluoro-N-[[2-[[(4-fluorobenzoyl)amino]methylsulfanyl]pyrimidin-4-yl]sulfanylmethyl]benzamide Traditional Name: 4-fluoro-N-[[[2-[[(4-fluorobenzoyl)amino]methylthio]pyrimidin-4-yl]thio]methyl]benzamide Formula: C20H16F2N4O2S2 MolecularWeight: 446.493446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCSC2=NC(=NC=C2)SCNC(=O)C3=CC=C(C=C3)F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCSC2=NC(=NC=C2)SCNC(=O)C3=CC=C(C=C3)F)F

InChI

InChI=1S/C20H16F2N4O2S2/c21-15-5-1-13(2-6-15)18(27)24-11-29-17-9-10-23-20(26-17)30-12-25-19(28)14-3-7-16(22)8-4-14/h1-10H,11-12H2,(H,24,27)(H,25,28)