N-[6-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]pyridin-2-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[6-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]pyridin-2-yl]-2-fluoranyl-benzamide Openeye Name: N-[6-[(5-chloro-2,4-dimethoxy-phenyl)carbamothioylamino]-2-pyridyl]-2-fluoro-benzamide CAS Name: N-[6-[[(5-chloro-2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]-2-pyridinyl]-2-fluorobenzamide IUPAC Name: N-[6-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]pyridin-2-yl]-2-fluorobenzamide Traditional Name: N-[6-[(5-chloro-2,4-dimethoxy-phenyl)thiocarbamoylamino]-2-pyridyl]-2-fluoro-benzamide Formula: C21H18ClFN4O3S MolecularWeight: 460.909023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NC2=CC=CC(=N2)NC(=O)C3=CC=CC=C3F)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NC2=CC=CC(=N2)NC(=O)C3=CC=CC=C3F)Cl)OC

InChI

InChI=1S/C21H18ClFN4O3S/c1-29-16-11-17(30-2)15(10-13(16)22)24-21(31)27-19-9-5-8-18(25-19)26-20(28)12-6-3-4-7-14(12)23/h3-11H,1-2H3,(H3,24,25,26,27,28,31)