N-[4-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamothioylamino]phenyl]furan-2-carboxamide

Systemtic Name: N-[4-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[4-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[4-[[[[3,5-bis(trifluoromethyl)phenyl]methylamino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[4-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[4-[[3,5-bis(trifluoromethyl)benzyl]thiocarbamoylamino]phenyl]-2-furamide Formula: C21H15F6N3O2S MolecularWeight: 487.418119

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=COC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H15F6N3O2S/c22-20(23,24)13-8-12(9-14(10-13)21(25,26)27)11-28-19(33)30-16-5-3-15(4-6-16)29-18(31)17-2-1-7-32-17/h1-10H,11H2,(H,29,31)(H2,28,30,33)