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

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(4-bromo-2-fluorophenyl)acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]acetamide Formula: C21H17BrFN3OS2 MolecularWeight: 490.411583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C21H17BrFN3OS2/c22-14-9-10-19(18(23)11-14)26-20(27)13-29-17-8-4-7-16(12-17)25-21(28)24-15-5-2-1-3-6-15/h1-12H,13H2,(H,26,27)(H2,24,25,28)