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

Systemtic Name: N-[(4-bromophenyl)carbamoyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[(4-bromophenyl)carbamoyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[(4-bromoanilino)-oxomethyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[(4-bromophenyl)carbamoyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[(4-bromophenyl)carbamoyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C14H12BrN3O3S MolecularWeight: 382.23238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC(=O)NC(=O)NC2=CC=C(C=C2)Br)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC(=O)NC(=O)NC2=CC=C(C=C2)Br)[O-]

InChI

InChI=1S/C14H12BrN3O3S/c15-10-4-6-11(7-5-10)16-14(20)17-12(19)9-22-13-3-1-2-8-18(13)21/h1-8H,9H2,(H2,16,17,19,20)