N-[4-[(3-chloranyl-4-ethoxy-phenyl)carbamothioylamino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[(3-chloranyl-4-ethoxy-phenyl)carbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[(3-chloro-4-ethoxy-phenyl)carbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[(3-chloro-4-ethoxyanilino)-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[(3-chloro-4-ethoxyphenyl)carbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[(3-chloro-4-ethoxy-phenyl)thiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C22H19ClFN3O2S MolecularWeight: 443.921563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl

InChI

InChI=1S/C22H19ClFN3O2S/c1-2-29-20-12-11-16(13-18(20)23)27-22(30)26-15-9-7-14(8-10-15)25-21(28)17-5-3-4-6-19(17)24/h3-13H,2H2,1H3,(H,25,28)(H2,26,27,30)