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

Systemtic Name: N-[[3-chloranyl-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[3-chloro-4-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[[3-chloro-4-(2-ketochromen-3-yl)phenyl]thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C25H17ClN2O5S MolecularWeight: 492.93088

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)C4=CC5=CC=CC=C5OC4=O)Cl

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)C4=CC5=CC=CC=C5OC4=O)Cl

InChI

InChI=1S/C25H17ClN2O5S/c26-19-13-16(6-7-17(19)18-11-14-3-1-2-4-20(14)33-24(18)30)27-25(34)28-23(29)15-5-8-21-22(12-15)32-10-9-31-21/h1-8,11-13H,9-10H2,(H2,27,28,29,34)