N-[4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]phenyl]butanamide

Systemtic Name: N-[4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]phenyl]butanamide Openeye Name: N-[4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]phenyl]butanamide CAS Name: N-[4-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]phenyl]butanamide IUPAC Name: N-[4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]phenyl]butanamide Traditional Name: N-[4-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]phenyl]butyramide Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C17H18N2O3S/c1-2-5-16(21)18-14-9-7-13(8-10-14)15(20)12-23-17-6-3-4-11-19(17)22/h3-4,6-11H,2,5,12H2,1H3,(H,18,21)