2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N,N-bis(phenylmethyl)propanamide

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N,N-bis(phenylmethyl)propanamide Openeye Name: N,N-dibenzyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-N,N-bis(phenylmethyl)propanamide IUPAC Name: N,N-dibenzyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: N,N-dibenzyl-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2)SC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC(C(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2)SC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C22H22N2O2S/c1-18(27-21-14-8-9-15-24(21)26)22(25)23(16-19-10-4-2-5-11-19)17-20-12-6-3-7-13-20/h2-15,18H,16-17H2,1H3