methyl N'-[2-[(3-oxidanylpyridin-2-yl)methylsulfanyl]ethyl]-N-(phenylcarbonyl)carbamimidothioate

Systemtic Name: methyl N'-[2-[(3-oxidanylpyridin-2-yl)methylsulfanyl]ethyl]-N-(phenylcarbonyl)carbamimidothioate Openeye Name: N-[N-[2-[(3-hydroxy-2-pyridyl)methylsulfanyl]ethyl]-C-methylsulfanyl-carbonimidoyl]benzamide CAS Name: N-benzoyl-N'-[2-[(3-hydroxy-2-pyridinyl)methylthio]ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-benzoyl-N'-[2-[(3-hydroxypyridin-2-yl)methylsulfanyl]ethyl]carbamimidothioate Traditional Name: N-[N-[2-[(3-hydroxy-2-pyridyl)methylthio]ethyl]-C-(methylthio)carbonimidoyl]benzamide Formula: C17H19N3O2S2 MolecularWeight: 361.48166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O2S2/c1-23-17(20-16(22)13-6-3-2-4-7-13)19-10-11-24-12-14-15(21)8-5-9-18-14/h2-9,21H,10-12H2,1H3,(H,19,20,22)