5-bromanyl-N-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[3-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoyl]-2-furamide Formula: C23H22BrN3O3S MolecularWeight: 500.40808

Click to see the large picture

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=C(O3)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C23H22BrN3O3S/c1-23(2,3)15-9-7-14(8-10-15)20(28)25-16-5-4-6-17(13-16)26-22(31)27-21(29)18-11-12-19(24)30-18/h4-13H,1-3H3,(H,25,28)(H2,26,27,29,31)