N-(4-fluorophenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[4-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(4-fluorophenyl)acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide Traditional Name: N-(4-fluorophenyl)-2-[[4-(phenylthiocarbamoylamino)phenyl]thio]acetamide Formula: C21H18FN3OS2 MolecularWeight: 411.515523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18FN3OS2/c22-15-6-8-17(9-7-15)23-20(26)14-28-19-12-10-18(11-13-19)25-21(27)24-16-4-2-1-3-5-16/h1-13H,14H2,(H,23,26)(H2,24,25,27)