N-[6-[(5-chloranyl-2,3-dimethoxy-phenyl)sulfanylcarbamoylamino]pyridin-3-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[6-[(5-chloranyl-2,3-dimethoxy-phenyl)sulfanylcarbamoylamino]pyridin-3-yl]-2-fluoranyl-benzamide Openeye Name: N-[6-[(5-chloro-2,3-dimethoxy-phenyl)sulfanylcarbamoylamino]-3-pyridyl]-2-fluoro-benzamide CAS Name: N-[6-[[[[(5-chloro-2,3-dimethoxyphenyl)thio]amino]-oxomethyl]amino]-3-pyridinyl]-2-fluorobenzamide IUPAC Name: N-[6-[(5-chloro-2,3-dimethoxyphenyl)sulfanylcarbamoylamino]pyridin-3-yl]-2-fluorobenzamide Traditional Name: N-[6-[[(5-chloro-2,3-dimethoxy-phenyl)thio]carbamoylamino]-3-pyridyl]-2-fluoro-benzamide Formula: C21H18ClFN4O4S MolecularWeight: 476.908423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)SNC(=O)NC2=NC=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)SNC(=O)NC2=NC=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl

InChI

InChI=1S/C21H18ClFN4O4S/c1-30-16-9-12(22)10-17(19(16)31-2)32-27-21(29)26-18-8-7-13(11-24-18)25-20(28)14-5-3-4-6-15(14)23/h3-11H,1-2H3,(H,25,28)(H2,24,26,27,29)