N-[3-chloranyl-4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[3-chloranyl-4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[3-chloro-4-[(5-chloro-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[3-chloro-4-[[(5-chloro-2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[3-chloro-4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[3-chloro-4-[(5-chloro-2,4-dimethoxy-phenyl)thiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C22H18Cl2FN3O3S MolecularWeight: 494.366023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18Cl2FN3O3S/c1-30-19-11-20(31-2)18(10-15(19)24)28-22(32)27-17-8-7-12(9-14(17)23)26-21(29)13-5-3-4-6-16(13)25/h3-11H,1-2H3,(H,26,29)(H2,27,28,32)