N-(2-methoxydibenzofuran-3-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2-methoxydibenzofuran-3-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: N-(2-methoxydibenzofuran-3-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: N-(2-methoxy-3-dibenzofuranyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: N-(2-methoxydibenzofuran-3-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: N-(2-methoxydibenzofuran-3-yl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC)SC4=CC=CC=[N+]4[O-]

Isomeric SMILES

CC(C(=O)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC)SC4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C21H18N2O4S/c1-13(28-20-9-5-6-10-23(20)25)21(24)22-16-12-18-15(11-19(16)26-2)14-7-3-4-8-17(14)27-18/h3-13H,1-2H3,(H,22,24)