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

Systemtic Name: N-[5-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]pyridin-2-yl]-2-fluoranyl-benzamide Openeye Name: N-[5-[(5-chloro-2,4-dimethoxy-phenyl)carbamothioylamino]-2-pyridyl]-2-fluoro-benzamide CAS Name: N-[5-[[(5-chloro-2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]-2-pyridinyl]-2-fluorobenzamide IUPAC Name: N-[5-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]pyridin-2-yl]-2-fluorobenzamide Traditional Name: N-[5-[(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=CN=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NC2=CN=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl)OC

InChI

InChI=1S/C21H18ClFN4O3S/c1-29-17-10-18(30-2)16(9-14(17)22)26-21(31)25-12-7-8-19(24-11-12)27-20(28)13-5-3-4-6-15(13)23/h3-11H,1-2H3,(H,24,27,28)(H2,25,26,31)