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

Systemtic Name: methyl N,N'-bis[2-[(3-oxidanylpyridin-2-yl)methylsulfanyl]ethyl]carbamimidothioate Openeye Name: 1,3-bis[2-[(3-hydroxy-2-pyridyl)methylsulfanyl]ethyl]-2-methyl-isothiourea CAS Name: N,N'-bis[2-[(3-hydroxy-2-pyridinyl)methylthio]ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N,N'-bis[2-[(3-hydroxypyridin-2-yl)methylsulfanyl]ethyl]carbamimidothioate Traditional Name: 1,3-bis[2-[(3-hydroxy-2-pyridyl)methylthio]ethyl]-2-methyl-isothiourea Formula: C18H24N4O2S3 MolecularWeight: 424.60376

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCSCC1=C(C=CC=N1)O)NCCSCC2=C(C=CC=N2)O

Isomeric SMILES

CSC(=NCCSCC1=C(C=CC=N1)O)NCCSCC2=C(C=CC=N2)O

InChI

InChI=1S/C18H24N4O2S3/c1-25-18(21-8-10-26-12-14-16(23)4-2-6-19-14)22-9-11-27-13-15-17(24)5-3-7-20-15/h2-7,23-24H,8-13H2,1H3,(H,21,22)