N-[4-[[3-fluoranyl-5-(trifluoromethyl)phenyl]methylcarbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[4-[[3-fluoranyl-5-(trifluoromethyl)phenyl]methylcarbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide CAS Name: N-[4-[[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-sulfanylidenemethyl]amino]phenyl]-4-thiadiazolecarboxamide IUPAC Name: N-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide Traditional Name: N-[4-[[3-fluoro-5-(trifluoromethyl)benzyl]thiocarbamoylamino]phenyl]thiadiazole-4-carboxamide Formula: C18H13F4N5OS2 MolecularWeight: 455.452333

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CSN=N2)NC(=S)NCC3=CC(=CC(=C3)F)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CSN=N2)NC(=S)NCC3=CC(=CC(=C3)F)C(F)(F)F

InChI

InChI=1S/C18H13F4N5OS2/c19-12-6-10(5-11(7-12)18(20,21)22)8-23-17(29)25-14-3-1-13(2-4-14)24-16(28)15-9-30-27-26-15/h1-7,9H,8H2,(H,24,28)(H2,23,25,29)