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

Systemtic Name: N-[4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]-3-fluoranyl-benzamide Openeye Name: N-[4-[(5-chloro-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]-3-fluoro-benzamide CAS Name: N-[4-[[(5-chloro-2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]phenyl]-3-fluorobenzamide IUPAC Name: N-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]phenyl]-3-fluorobenzamide Traditional Name: N-[4-[(5-chloro-2,4-dimethoxy-phenyl)thiocarbamoylamino]phenyl]-3-fluoro-benzamide Formula: C22H19ClFN3O3S MolecularWeight: 459.920963

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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=C3)F)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClFN3O3S/c1-29-19-12-20(30-2)18(11-17(19)23)27-22(31)26-16-8-6-15(7-9-16)25-21(28)13-4-3-5-14(24)10-13/h3-12H,1-2H3,(H,25,28)(H2,26,27,31)