4-[[(4-fluorophenyl)-pyrazin-2-yl-carbamothioyl]-pyrazin-2-yl-amino]-3,5-bis(iodanyl)benzoic acid

Systemtic Name: 4-[[(4-fluorophenyl)-pyrazin-2-yl-carbamothioyl]-pyrazin-2-yl-amino]-3,5-bis(iodanyl)benzoic acid Openeye Name: 4-[[(4-fluorophenyl)-pyrazin-2-yl-carbamothioyl]-pyrazin-2-yl-amino]-3,5-diiodo-benzoic acid CAS Name: 4-[[[4-fluoro-N-(2-pyrazinyl)anilino]-sulfanylidenemethyl]-(2-pyrazinyl)amino]-3,5-diiodobenzoic acid IUPAC Name: 4-[[(4-fluorophenyl)-pyrazin-2-ylcarbamothioyl]-pyrazin-2-ylamino]-3,5-diiodobenzoic acid Traditional Name: 4-[[(4-fluorophenyl)-pyrazin-2-yl-thiocarbamoyl]-pyrazin-2-yl-amino]-3,5-diiodo-benzoic acid Formula: C22H13FI2N6O2S MolecularWeight: 698.249963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(C2=NC=CN=C2)C(=S)N(C3=NC=CN=C3)C4=C(C=C(C=C4I)C(=O)O)I)F

Isomeric SMILES

C1=CC(=CC=C1N(C2=NC=CN=C2)C(=S)N(C3=NC=CN=C3)C4=C(C=C(C=C4I)C(=O)O)I)F

InChI

InChI=1S/C22H13FI2N6O2S/c23-14-1-3-15(4-2-14)30(18-11-26-5-7-28-18)22(34)31(19-12-27-6-8-29-19)20-16(24)9-13(21(32)33)10-17(20)25/h1-12H,(H,32,33)