4-[[3,4-bis(fluoranyl)phenyl]methylcarbamothioylamino]benzamide

Systemtic Name: 4-[[3,4-bis(fluoranyl)phenyl]methylcarbamothioylamino]benzamide Openeye Name: 4-[(3,4-difluorophenyl)methylcarbamothioylamino]benzamide CAS Name: 4-[[[(3,4-difluorophenyl)methylamino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: 4-[(3,4-difluorophenyl)methylcarbamothioylamino]benzamide Traditional Name: 4-[(3,4-difluorobenzyl)thiocarbamoylamino]benzamide Formula: C15H13F2N3OS MolecularWeight: 321.345026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N)NC(=S)NCC2=CC(=C(C=C2)F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)N)NC(=S)NCC2=CC(=C(C=C2)F)F

InChI

InChI=1S/C15H13F2N3OS/c16-12-6-1-9(7-13(12)17)8-19-15(22)20-11-4-2-10(3-5-11)14(18)21/h1-7H,8H2,(H2,18,21)(H2,19,20,22)