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

Systemtic Name: N-[4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]-2-cyano-phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[(5-chloro-2,4-dimethoxy-phenyl)carbamothioylamino]-2-cyano-phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[(5-chloro-2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]-2-cyanophenyl]-2-fluorobenzamide IUPAC Name: N-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]-2-cyanophenyl]-2-fluorobenzamide Traditional Name: N-[4-[(5-chloro-2,4-dimethoxy-phenyl)thiocarbamoylamino]-2-cyano-phenyl]-2-fluoro-benzamide Formula: C23H18ClFN4O3S MolecularWeight: 484.930423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18ClFN4O3S/c1-31-20-11-21(32-2)19(10-16(20)24)29-23(33)27-14-7-8-18(13(9-14)12-26)28-22(30)15-5-3-4-6-17(15)25/h3-11H,1-2H3,(H,28,30)(H2,27,29,33)