N-[[2-methoxy-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[[2-methoxy-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[2-methoxy-5-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[[5-(2-ketochromen-3-yl)-2-methoxy-phenyl]thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C26H20N2O6S MolecularWeight: 488.5118

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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=CC5=C(C=C4)OCCO5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=CC=CC=C3OC2=O)NC(=S)NC(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C26H20N2O6S/c1-31-21-8-6-15(18-12-16-4-2-3-5-20(16)34-25(18)30)13-19(21)27-26(35)28-24(29)17-7-9-22-23(14-17)33-11-10-32-22/h2-9,12-14H,10-11H2,1H3,(H2,27,28,29,35)