N-[(3,4-diethoxyphenyl)carbamoyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(3,4-diethoxyphenyl)carbamoyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[(3,4-diethoxyphenyl)carbamoyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[(3,4-diethoxyanilino)-oxomethyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[(3,4-diethoxyphenyl)carbamoyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[(3,4-diethoxyphenyl)carbamoyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)NC(=O)CSC2=CC=CC=[N+]2[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)NC(=O)CSC2=CC=CC=[N+]2[O-])OCC

InChI

InChI=1S/C18H21N3O5S/c1-3-25-14-9-8-13(11-15(14)26-4-2)19-18(23)20-16(22)12-27-17-7-5-6-10-21(17)24/h5-11H,3-4,12H2,1-2H3,(H2,19,20,22,23)