5-bromanyl-N-[[4-[(2-methylphenyl)carbonylamino]phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[4-[(2-methylphenyl)carbonylamino]phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[4-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[4-[[(2-methylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[4-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[4-(o-toluoylamino)phenyl]thiocarbamoyl]-2-furamide Formula: C20H16BrN3O3S MolecularWeight: 458.32834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C20H16BrN3O3S/c1-12-4-2-3-5-15(12)18(25)22-13-6-8-14(9-7-13)23-20(28)24-19(26)16-10-11-17(21)27-16/h2-11H,1H3,(H,22,25)(H2,23,24,26,28)