N-(3-chloranyl-4-fluoranyl-phenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(3-chloro-4-fluorophenyl)-2-phenylacetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-phenyl-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]acetamide Formula: C27H21ClFN3OS2 MolecularWeight: 522.056543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC(=C(C=C2)F)Cl)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC(=C(C=C2)F)Cl)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C27H21ClFN3OS2/c28-23-17-21(14-15-24(23)29)30-26(33)25(18-8-3-1-4-9-18)35-22-13-7-12-20(16-22)32-27(34)31-19-10-5-2-6-11-19/h1-17,25H,(H,30,33)(H2,31,32,34)