2-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]carbamothioylamino]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]carbamothioylamino]-N-propan-2-yl-ethanamide Openeye Name: 2-[[4-(difluoromethylsulfanyl)phenyl]carbamothioylamino]-N-isopropyl-acetamide CAS Name: 2-[[[4-(difluoromethylthio)anilino]-sulfanylidenemethyl]amino]-N-propan-2-ylacetamide IUPAC Name: 2-[[4-(difluoromethylsulfanyl)phenyl]carbamothioylamino]-N-propan-2-ylacetamide Traditional Name: 2-[[4-(difluoromethylthio)phenyl]thiocarbamoylamino]-N-isopropyl-acetamide Formula: C13H17F2N3OS2 MolecularWeight: 333.420386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CNC(=S)NC1=CC=C(C=C1)SC(F)F

Isomeric SMILES

CC(C)NC(=O)CNC(=S)NC1=CC=C(C=C1)SC(F)F

InChI

InChI=1S/C13H17F2N3OS2/c1-8(2)17-11(19)7-16-13(20)18-9-3-5-10(6-4-9)21-12(14)15/h3-6,8,12H,7H2,1-2H3,(H,17,19)(H2,16,18,20)