N-[4-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamothioylamino]phenyl]-1H-imidazole-5-carboxamide

Systemtic Name: N-[4-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamothioylamino]phenyl]-1H-imidazole-5-carboxamide Openeye Name: N-[4-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamothioylamino]phenyl]-1H-imidazole-5-carboxamide CAS Name: N-[4-[[[[3,5-bis(trifluoromethyl)phenyl]methylamino]-sulfanylidenemethyl]amino]phenyl]-1H-imidazole-5-carboxamide IUPAC Name: N-[4-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamothioylamino]phenyl]-1H-imidazole-5-carboxamide Traditional Name: N-[4-[[3,5-bis(trifluoromethyl)benzyl]thiocarbamoylamino]phenyl]-1H-imidazole-5-carboxamide Formula: C20H15F6N5OS MolecularWeight: 487.421419

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CN=CN2)NC(=S)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CN=CN2)NC(=S)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C20H15F6N5OS/c21-19(22,23)12-5-11(6-13(7-12)20(24,25)26)8-28-18(33)31-15-3-1-14(2-4-15)30-17(32)16-9-27-10-29-16/h1-7,9-10H,8H2,(H,27,29)(H,30,32)(H2,28,31,33)