N-[(1S)-1-(4-bromophenyl)propyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1S)-1-(4-bromophenyl)propyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1S)-1-(4-bromophenyl)propyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[(1S)-1-(4-bromophenyl)propyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[(1S)-1-(4-bromophenyl)propyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[(1S)-1-(4-bromophenyl)propyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C16H17BrN2O2S MolecularWeight: 381.28738

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)NC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC[C@@H](C1=CC=C(C=C1)Br)NC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C16H17BrN2O2S/c1-2-14(12-6-8-13(17)9-7-12)18-15(20)11-22-16-5-3-4-10-19(16)21/h3-10,14H,2,11H2,1H3,(H,18,20)/t14-/m0/s1