3-[2-cyano-2-(phenylcarbamoylamino)ethyl]sulfanyl-2-(trimethylazaniumyl)propanoate

Systemtic Name: 3-[2-cyano-2-(phenylcarbamoylamino)ethyl]sulfanyl-2-(trimethylazaniumyl)propanoate Openeye Name: 3-[2-cyano-2-(phenylcarbamoylamino)ethyl]sulfanyl-2-(trimethylammonio)propanoate CAS Name: 3-[[2-[[anilino(oxo)methyl]amino]-2-cyanoethyl]thio]-2-(trimethylammonio)propanoate IUPAC Name: 3-[2-cyano-2-(phenylcarbamoylamino)ethyl]sulfanyl-2-(trimethylazaniumyl)propanoate Traditional Name: 3-[[2-cyano-2-(phenylcarbamoylamino)ethyl]thio]-2-(trimethylammonio)propionate Formula: C16H22N4O3S MolecularWeight: 350.43588

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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)