N-[4-[[4-azanyl-3,5-bis(bromanyl)phenyl]sulfanylcarbamoylamino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[[4-azanyl-3,5-bis(bromanyl)phenyl]sulfanylcarbamoylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[(4-amino-3,5-dibromo-phenyl)sulfanylcarbamoylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[[(4-amino-3,5-dibromophenyl)thio]amino]-oxomethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[(4-amino-3,5-dibromophenyl)sulfanylcarbamoylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[[(4-amino-3,5-dibromo-phenyl)thio]carbamoylamino]phenyl]-2-fluoro-benzamide Formula: C20H15Br2FN4O2S MolecularWeight: 554.230103

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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(=C(C(=C3)Br)N)Br)F

Isomeric SMILES

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

InChI

InChI=1S/C20H15Br2FN4O2S/c21-15-9-13(10-16(22)18(15)24)30-27-20(29)26-12-7-5-11(6-8-12)25-19(28)14-3-1-2-4-17(14)23/h1-10H,24H2,(H,25,28)(H2,26,27,29)