N-[[2-methoxy-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[[2-methoxy-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[[2-methoxy-5-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[[5-(2-ketochromen-3-yl)-2-methoxy-phenyl]thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C28H19N3O7S MolecularWeight: 541.53136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC3=CC=CC=C3OC2=O)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=CC=CC=C3OC2=O)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H19N3O7S/c1-36-24-10-9-16(20-14-18-5-2-3-8-22(18)38-27(20)33)15-21(24)29-28(39)30-26(32)25-12-11-23(37-25)17-6-4-7-19(13-17)31(34)35/h2-15H,1H3,(H2,29,30,32,39)