2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]-N-(phenylmethyl)benzamide

Systemtic Name: 2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzamide CAS Name: 2-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-benzyl-2-[[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]benzamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C21H19N3O3S/c25-19(15-28-20-12-6-7-13-24(20)27)23-18-11-5-4-10-17(18)21(26)22-14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,22,26)(H,23,25)