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

Systemtic Name: N-[(3,4-dipropoxyphenyl)carbamoyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[(3,4-dipropoxyphenyl)carbamoyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[(3,4-dipropoxyanilino)-oxomethyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[(3,4-dipropoxyphenyl)carbamoyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[(3,4-dipropoxyphenyl)carbamoyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)NC(=O)NC(=O)CSC2=CC=CC=[N+]2[O-])OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)NC(=O)NC(=O)CSC2=CC=CC=[N+]2[O-])OCCC

InChI

InChI=1S/C20H25N3O5S/c1-3-11-27-16-9-8-15(13-17(16)28-12-4-2)21-20(25)22-18(24)14-29-19-7-5-6-10-23(19)26/h5-10,13H,3-4,11-12,14H2,1-2H3,(H2,21,22,24,25)