N-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[(3,5-dibromo-4-hydroxy-phenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[(3,5-dibromo-4-hydroxyanilino)-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[(3,5-dibromo-4-hydroxy-phenyl)thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C18H11Br2N3O5S MolecularWeight: 541.17004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C(=O)NC(=S)NC3=CC(=C(C(=C3)Br)O)Br

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C(=O)NC(=S)NC3=CC(=C(C(=C3)Br)O)Br

InChI

InChI=1S/C18H11Br2N3O5S/c19-12-7-10(8-13(20)16(12)24)21-18(29)22-17(25)15-5-4-14(28-15)9-2-1-3-11(6-9)23(26)27/h1-8,24H,(H2,21,22,25,29)