N-(3-chloranyl-4-fluoranyl-phenyl)-3-[(3-chlorophenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-[(3-chlorophenyl)carbonylcarbamothioylamino]benzamide Openeye Name: 3-[(3-chlorobenzoyl)carbamothioylamino]-N-(3-chloro-4-fluoro-phenyl)benzamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[[[[(3-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: 3-[(3-chlorobenzoyl)carbamothioylamino]-N-(3-chloro-4-fluorophenyl)benzamide Traditional Name: 3-[(3-chlorobenzoyl)thiocarbamoylamino]-N-(3-chloro-4-fluoro-phenyl)benzamide Formula: C21H14Cl2FN3O2S MolecularWeight: 462.324163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC(=CC=C2)Cl)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC(=CC=C2)Cl)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H14Cl2FN3O2S/c22-14-5-1-3-12(9-14)20(29)27-21(30)26-15-6-2-4-13(10-15)19(28)25-16-7-8-18(24)17(23)11-16/h1-11H,(H,25,28)(H2,26,27,29,30)