N-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]phenyl]thiophene-2-carboxamide CAS Name: N-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]phenyl]thiophene-2-carboxamide Formula: C20H16N2O5S2 MolecularWeight: 428.48144

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=CC=CC=C3NC(=O)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=CC=CC=C3NC(=O)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O5S2/c23-20(18-6-3-7-28-18)21-16-4-1-2-5-17(16)29-11-14-9-15(22(24)25)8-13-10-26-12-27-19(13)14/h1-9H,10-12H2,(H,21,23)