methyl N-(phenylcarbonyl)-N'-[2-(pyridin-2-ylmethylsulfanyl)ethyl]carbamimidothioate

Systemtic Name: methyl N-(phenylcarbonyl)-N'-[2-(pyridin-2-ylmethylsulfanyl)ethyl]carbamimidothioate Openeye Name: N-[C-methylsulfanyl-N-[2-(2-pyridylmethylsulfanyl)ethyl]carbonimidoyl]benzamide CAS Name: N-benzoyl-N'-[2-(2-pyridinylmethylthio)ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-benzoyl-N'-[2-(pyridin-2-ylmethylsulfanyl)ethyl]carbamimidothioate Traditional Name: N-[C-(methylthio)-N-[2-(2-pyridylmethylthio)ethyl]carbonimidoyl]benzamide Formula: C17H19N3OS2 MolecularWeight: 345.48226

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCSCC1=CC=CC=N1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CSC(=NCCSCC1=CC=CC=N1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H19N3OS2/c1-22-17(20-16(21)14-7-3-2-4-8-14)19-11-12-23-13-15-9-5-6-10-18-15/h2-10H,11-13H2,1H3,(H,19,20,21)