N-[[3-chloranyl-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[[3-chloranyl-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[[3-chloro-4-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[[3-chloro-4-(2-ketochromen-3-yl)phenyl]thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C27H16ClN3O6S MolecularWeight: 545.95044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=CC=C5)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=CC=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C27H16ClN3O6S/c28-21-14-17(8-9-19(21)20-13-16-4-1-2-7-22(16)37-26(20)33)29-27(38)30-25(32)24-11-10-23(36-24)15-5-3-6-18(12-15)31(34)35/h1-14H,(H2,29,30,32,38)