[3-[2-cyano-2-(phenylcarbamoylamino)ethyl]sulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl]-trimethyl-azanium

Systemtic Name: [3-[2-cyano-2-(phenylcarbamoylamino)ethyl]sulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl]-trimethyl-azanium Openeye Name: [1-[[2-cyano-2-(phenylcarbamoylamino)ethyl]sulfanylmethyl]-2-hydroxy-2-oxo-ethyl]-trimethyl-ammonium CAS Name: [3-[[2-[[anilino(oxo)methyl]amino]-2-cyanoethyl]thio]-1-hydroxy-1-oxopropan-2-yl]-trimethylammonium IUPAC Name: [3-[2-cyano-2-(phenylcarbamoylamino)ethyl]sulfanyl-1-hydroxy-1-oxopropan-2-yl]-trimethylazanium Traditional Name: [1-[[[2-cyano-2-(phenylcarbamoylamino)ethyl]thio]methyl]-2-hydroxy-2-keto-ethyl]-trimethyl-ammonium Formula: C16H23N4O3S+ MolecularWeight: 351.44382

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(CSCC(C#N)NC(=O)NC1=CC=CC=C1)C(=O)O

Isomeric SMILES

C[N+](C)(C)C(CSCC(C#N)NC(=O)NC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C16H22N4O3S/c1-20(2,3)14(15(21)22)11-24-10-13(9-17)19-16(23)18-12-7-5-4-6-8-12/h4-8,13-14H,10-11H2,1-3H3,(H2-,18,19,21,22,23)/p+1