3-[(5-chloranyl-2,4-dimethoxy-phenyl)sulfanylcarbamoylamino]-2-fluoranyl-4-pyridin-3-yl-benzamide

Systemtic Name: 3-[(5-chloranyl-2,4-dimethoxy-phenyl)sulfanylcarbamoylamino]-2-fluoranyl-4-pyridin-3-yl-benzamide Openeye Name: 3-[(5-chloro-2,4-dimethoxy-phenyl)sulfanylcarbamoylamino]-2-fluoro-4-(3-pyridyl)benzamide CAS Name: 3-[[[[(5-chloro-2,4-dimethoxyphenyl)thio]amino]-oxomethyl]amino]-2-fluoro-4-(3-pyridinyl)benzamide IUPAC Name: 3-[(5-chloro-2,4-dimethoxyphenyl)sulfanylcarbamoylamino]-2-fluoro-4-pyridin-3-ylbenzamide Traditional Name: 3-[[(5-chloro-2,4-dimethoxy-phenyl)thio]carbamoylamino]-2-fluoro-4-(3-pyridyl)benzamide Formula: C21H18ClFN4O4S MolecularWeight: 476.908423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1SNC(=O)NC2=C(C=CC(=C2F)C(=O)N)C3=CN=CC=C3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1SNC(=O)NC2=C(C=CC(=C2F)C(=O)N)C3=CN=CC=C3)Cl)OC

InChI

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