methyl N'-[4-[6-(acetamidomethyl)pyridin-2-yl]-1,3-thiazol-2-yl]carbamimidothioate

Systemtic Name: methyl N'-[4-[6-(acetamidomethyl)pyridin-2-yl]-1,3-thiazol-2-yl]carbamimidothioate Openeye Name: N-[[6-[2-[(E)-[amino(methylsulfanyl)methylene]amino]thiazol-4-yl]-2-pyridyl]methyl]acetamide CAS Name: N'-[4-[6-(acetamidomethyl)-2-pyridinyl]-2-thiazolyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[4-[6-(acetamidomethyl)pyridin-2-yl]-1,3-thiazol-2-yl]carbamimidothioate Traditional Name: N-[[6-[2-[(E)-[amino-(methylthio)methylene]amino]thiazol-4-yl]-2-pyridyl]methyl]acetamide Formula: C13H15N5OS2 MolecularWeight: 321.4211

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=CC(=N1)C2=CSC(=N2)N=C(N)SC

Isomeric SMILES

CC(=O)NCC1=CC=CC(=N1)C2=CSC(=N2)/N=C(\N)/SC

InChI

InChI=1S/C13H15N5OS2/c1-8(19)15-6-9-4-3-5-10(16-9)11-7-21-13(17-11)18-12(14)20-2/h3-5,7H,6H2,1-2H3,(H,15,19)(H2,14,17,18)