N-(3-chloranyl-4-fluoranyl-phenyl)-3-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]benzamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]benzamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]benzamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[[[[2-(4-chlorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]benzamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-[[2-(4-chlorophenyl)acetyl]thiocarbamoylamino]benzamide Formula: C22H16Cl2FN3O2S MolecularWeight: 476.350743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC(=O)CC2=CC=C(C=C2)Cl)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC(=O)CC2=CC=C(C=C2)Cl)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C22H16Cl2FN3O2S/c23-15-6-4-13(5-7-15)10-20(29)28-22(31)27-16-3-1-2-14(11-16)21(30)26-17-8-9-19(25)18(24)12-17/h1-9,11-12H,10H2,(H,26,30)(H2,27,28,29,31)