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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N)NC(=S)NCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)N)NC(=S)NCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

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