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

Systemtic Name: N-[(4-bromanyl-2-iodanyl-phenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[(4-bromo-2-iodo-phenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[(4-bromo-2-iodoanilino)-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(4-bromo-2-iodophenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[(4-bromo-2-iodo-phenyl)thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C18H11BrIN3O4S MolecularWeight: 572.17111

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11BrIN3O4S/c19-11-4-5-14(13(20)9-11)21-18(28)22-17(24)16-7-6-15(27-16)10-2-1-3-12(8-10)23(25)26/h1-9H,(H2,21,22,24,28)