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

Systemtic Name: N-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]phenyl]thiadiazole-4-carboxamide CAS Name: N-[4-[[[3,5-bis(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]phenyl]-4-thiadiazolecarboxamide IUPAC Name: N-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]phenyl]thiadiazole-4-carboxamide Traditional Name: N-[4-[[3,5-bis(trifluoromethyl)phenyl]thiocarbamoylamino]phenyl]thiadiazole-4-carboxamide Formula: C18H11F6N5OS2 MolecularWeight: 491.433259

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CSN=N2)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CSN=N2)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H11F6N5OS2/c19-17(20,21)9-5-10(18(22,23)24)7-13(6-9)27-16(31)26-12-3-1-11(2-4-12)25-15(30)14-8-32-29-28-14/h1-8H,(H,25,30)(H2,26,27,31)