5-(3-nitrophenyl)-N-[(2-oxidanylidenechromen-6-yl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(3-nitrophenyl)-N-[(2-oxidanylidenechromen-6-yl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3-nitrophenyl)-N-[(2-oxochromen-6-yl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(3-nitrophenyl)-N-[[(2-oxo-1-benzopyran-6-yl)amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3-nitrophenyl)-N-[(2-oxochromen-6-yl)carbamothioyl]furan-2-carboxamide Traditional Name: N-[(2-ketochromen-6-yl)thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C21H13N3O6S MolecularWeight: 435.40942

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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=CC4=C(C=C3)OC(=O)C=C4

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=O)C=C4

InChI

InChI=1S/C21H13N3O6S/c25-19-9-4-13-10-14(5-6-17(13)30-19)22-21(31)23-20(26)18-8-7-16(29-18)12-2-1-3-15(11-12)24(27)28/h1-11H,(H2,22,23,26,31)