N-[4-[[4-(2-azanylpyrimidin-4-yl)-3-chloranyl-phenyl]carbamothioylamino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[[4-(2-azanylpyrimidin-4-yl)-3-chloranyl-phenyl]carbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[[4-(2-aminopyrimidin-4-yl)-3-chloro-phenyl]carbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[4-(2-amino-4-pyrimidinyl)-3-chloroanilino]-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[[4-(2-aminopyrimidin-4-yl)-3-chlorophenyl]carbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[[4-(2-aminopyrimidin-4-yl)-3-chloro-phenyl]thiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C24H18ClFN6OS MolecularWeight: 492.955723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3)C4=NC(=NC=C4)N)Cl)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3)C4=NC(=NC=C4)N)Cl)F

InChI

InChI=1S/C24H18ClFN6OS/c25-19-13-16(9-10-17(19)21-11-12-28-23(27)32-21)31-24(34)30-15-7-5-14(6-8-15)29-22(33)18-3-1-2-4-20(18)26/h1-13H,(H,29,33)(H2,27,28,32)(H2,30,31,34)