4-methyl-N-[2,2,2-tris(fluoranyl)-1-[(2-fluorophenyl)carbamothioylamino]ethyl]benzamide

Systemtic Name: 4-methyl-N-[2,2,2-tris(fluoranyl)-1-[(2-fluorophenyl)carbamothioylamino]ethyl]benzamide Openeye Name: 4-methyl-N-[2,2,2-trifluoro-1-[(2-fluorophenyl)carbamothioylamino]ethyl]benzamide CAS Name: 4-methyl-N-[2,2,2-trifluoro-1-[[(2-fluoroanilino)-sulfanylidenemethyl]amino]ethyl]benzamide IUPAC Name: 4-methyl-N-[2,2,2-trifluoro-1-[(2-fluorophenyl)carbamothioylamino]ethyl]benzamide Traditional Name: 4-methyl-N-[2,2,2-trifluoro-1-[(2-fluorophenyl)thiocarbamoylamino]ethyl]benzamide Formula: C17H15F4N3OS MolecularWeight: 385.379113

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(F)(F)F)NC(=S)NC2=CC=CC=C2F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(C(F)(F)F)NC(=S)NC2=CC=CC=C2F

InChI

InChI=1S/C17H15F4N3OS/c1-10-6-8-11(9-7-10)14(25)23-15(17(19,20)21)24-16(26)22-13-5-3-2-4-12(13)18/h2-9,15H,1H3,(H,23,25)(H2,22,24,26)