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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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