2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-[3-(phenylcarbamoylamino)phenyl]ethanamide

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-[3-(phenylcarbamoylamino)phenyl]ethanamide Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-[3-(phenylcarbamoylamino)phenyl]acetamide CAS Name: N-[3-[[anilino(oxo)methyl]amino]phenyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-[3-(phenylcarbamoylamino)phenyl]acetamide Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-[3-(phenylcarbamoylamino)phenyl]acetamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C20H18N4O3S/c25-18(14-28-19-11-4-5-12-24(19)27)21-16-9-6-10-17(13-16)23-20(26)22-15-7-2-1-3-8-15/h1-13H,14H2,(H,21,25)(H2,22,23,26)