N-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-3-fluoranyl-benzamide

Systemtic Name: N-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-3-fluoranyl-benzamide Openeye Name: N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-3-fluoro-benzamide CAS Name: N-[[3-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-3-fluorobenzamide IUPAC Name: N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-3-fluorobenzamide Traditional Name: N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoyl]-3-fluoro-benzamide Formula: C25H24FN3O2S MolecularWeight: 449.540363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24FN3O2S/c1-25(2,3)18-12-10-16(11-13-18)22(30)27-20-8-5-9-21(15-20)28-24(32)29-23(31)17-6-4-7-19(26)14-17/h4-15H,1-3H3,(H,27,30)(H2,28,29,31,32)