5-bromanyl-N-[[3-[(phenylmethyl)carbamoyl]phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[3-[(phenylmethyl)carbamoyl]phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[3-(benzylcarbamoyl)phenyl]carbamothioyl]-5-bromo-furan-2-carboxamide CAS Name: 5-bromo-N-[[3-[oxo-[(phenylmethyl)amino]methyl]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[3-(benzylcarbamoyl)phenyl]carbamothioyl]-5-bromofuran-2-carboxamide Traditional Name: N-[[3-(benzylcarbamoyl)phenyl]thiocarbamoyl]-5-bromo-2-furamide Formula: C20H16BrN3O3S MolecularWeight: 458.32834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrN3O3S/c21-17-10-9-16(27-17)19(26)24-20(28)23-15-8-4-7-14(11-15)18(25)22-12-13-5-2-1-3-6-13/h1-11H,12H2,(H,22,25)(H2,23,24,26,28)