(2S)-N-(ethylcarbamoyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-2-phenyl-ethanamide

Systemtic Name: (2S)-N-(ethylcarbamoyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-2-phenyl-ethanamide Openeye Name: (2S)-N-(ethylcarbamoyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2-phenyl-acetamide CAS Name: (2S)-N-(ethylcarbamoyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]-2-phenylacetamide IUPAC Name: (2S)-N-(ethylcarbamoyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2-phenylacetamide Traditional Name: (2S)-N-(ethylcarbamoyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]-2-phenyl-acetamide Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C1=CC=CC=C1)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C1=CC=CC=C1)SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C16H17N3O3S/c1-2-17-16(21)18-15(20)14(12-8-4-3-5-9-12)23-13-10-6-7-11-19(13)22/h3-11,14H,2H2,1H3,(H2,17,18,20,21)/t14-/m0/s1