N-(3-chloranyl-4-fluoranyl-phenyl)-3-(2,2-diphenylethanoylcarbamothioylamino)benzamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-(2,2-diphenylethanoylcarbamothioylamino)benzamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-[(2,2-diphenylacetyl)carbamothioylamino]benzamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[[[(1-oxo-2,2-diphenylethyl)amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-[(2,2-diphenylacetyl)carbamothioylamino]benzamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-[(2,2-diphenylacetyl)thiocarbamoylamino]benzamide Formula: C28H21ClFN3O2S MolecularWeight: 518.001643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C28H21ClFN3O2S/c29-23-17-22(14-15-24(23)30)31-26(34)20-12-7-13-21(16-20)32-28(36)33-27(35)25(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-17,25H,(H,31,34)(H2,32,33,35,36)