4-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]benzamide

Systemtic Name: 4-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]benzamide Openeye Name: 4-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]benzamide CAS Name: 4-[[[3,5-bis(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: 4-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]benzamide Traditional Name: 4-[[3,5-bis(trifluoromethyl)phenyl]thiocarbamoylamino]benzamide Formula: C16H11F6N3OS MolecularWeight: 407.333459

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N)NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)N)NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H11F6N3OS/c17-15(18,19)9-5-10(16(20,21)22)7-12(6-9)25-14(27)24-11-3-1-8(2-4-11)13(23)26/h1-7H,(H2,23,26)(H2,24,25,27)