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

Systemtic Name: 2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]-N-(1-phenylethyl)benzamide Openeye Name: 2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]-N-(1-phenylethyl)benzamide CAS Name: 2-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]-N-(1-phenylethyl)benzamide IUPAC Name: 2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]-N-(1-phenylethyl)benzamide Traditional Name: 2-[[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]-N-(1-phenylethyl)benzamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3S/c1-16(17-9-3-2-4-10-17)23-22(27)18-11-5-6-12-19(18)24-20(26)15-29-21-13-7-8-14-25(21)28/h2-14,16H,15H2,1H3,(H,23,27)(H,24,26)