N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[[3-(2-benzo[e][1,3]benzoxazolyl)anilino]-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C29H18N4O5S MolecularWeight: 534.54202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2N=C(O3)C4=CC(=CC=C4)NC(=S)NC(=O)C5=CC=C(O5)C6=CC(=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2N=C(O3)C4=CC(=CC=C4)NC(=S)NC(=O)C5=CC=C(O5)C6=CC(=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C29H18N4O5S/c34-27(25-14-13-23(37-25)18-6-4-9-21(16-18)33(35)36)32-29(39)30-20-8-3-7-19(15-20)28-31-26-22-10-2-1-5-17(22)11-12-24(26)38-28/h1-16H,(H2,30,32,34,39)