N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[[2-(1-cyclohexenyl)ethylamino]-oxomethyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)NC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)NC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C16H21N3O3S/c20-14(12-23-15-8-4-5-11-19(15)22)18-16(21)17-10-9-13-6-2-1-3-7-13/h4-6,8,11H,1-3,7,9-10,12H2,(H2,17,18,20,21)