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

Systemtic Name: 4-[[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]methyl]benzamide Openeye Name: 4-[[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]methyl]benzamide CAS Name: 4-[[[[3,5-bis(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]methyl]benzamide IUPAC Name: 4-[[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]methyl]benzamide Traditional Name: 4-[[[3,5-bis(trifluoromethyl)phenyl]thiocarbamoylamino]methyl]benzamide Formula: C17H13F6N3OS MolecularWeight: 421.360039

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)N

InChI

InChI=1S/C17H13F6N3OS/c18-16(19,20)11-5-12(17(21,22)23)7-13(6-11)26-15(28)25-8-9-1-3-10(4-2-9)14(24)27/h1-7H,8H2,(H2,24,27)(H2,25,26,28)