3-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 3-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 3-[(4-tert-butylbenzoyl)carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 3-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 3-[(4-tert-butylbenzoyl)carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 3-[(4-tert-butylbenzoyl)thiocarbamoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide Formula: C26H24F3N3O2S MolecularWeight: 499.54787

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C26H24F3N3O2S/c1-25(2,3)18-12-10-16(11-13-18)22(33)32-24(35)31-20-8-4-6-17(14-20)23(34)30-21-9-5-7-19(15-21)26(27,28)29/h4-15H,1-3H3,(H,30,34)(H2,31,32,33,35)