N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoyl)-5-(3-nitrophenyl)-2-furamide Formula: C20H15N3O6S MolecularWeight: 425.4146

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O6S/c24-19(17-7-6-15(29-17)12-2-1-3-14(10-12)23(25)26)22-20(30)21-13-4-5-16-18(11-13)28-9-8-27-16/h1-7,10-11H,8-9H2,(H2,21,22,24,30)